data_2dm3_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 2dm3 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 87' ' ' ASN . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.427 ' CZ3' HD21 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 70' ' ' ILE . 67.6 m80 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD21 ' CZ3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 56' ' ' HIS . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 36' ' ' LEU . 11.9 t-20 -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 39' ' ' PRO . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.463 ' CG ' HG13 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 41' ' ' LEU . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.42 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.7 t60 -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' N ' ' HE2' ' A' ' 58' ' ' MET . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HE2' ' N ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 94' ' ' PHE . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.591 HD22 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.551 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 65.3 m80 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG23 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' CE1' HG23 ' A' ' 60' ' ' VAL . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 56' ' ' HIS . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 100' ' ' VAL . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.402 ' N ' HG12 ' A' ' 99' ' ' VAL . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.404 ' C ' HG23 ' A' ' 21' ' ' VAL . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 20' ' ' THR . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 27' ' ' CYS . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.444 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.552 ' CE1' HG13 ' A' ' 60' ' ' VAL . 9.5 m80 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 83' ' ' CYS . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 82' ' ' THR . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 39' ' ' PRO . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' CG ' HG13 ' A' ' 33' ' ' VAL . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 70' ' ' ILE . 59.6 m80 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.48 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 56' ' ' HIS . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.47 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.428 ' CG2' ' HB1' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' CD ' ' C ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG11 ' CG ' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 100' ' ' VAL . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.421 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 70' ' ' ILE . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' HIS . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 97' ' ' GLU . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' N ' HD11 ' A' ' 96' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' CD ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD23 ' CD2' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' CD ' ' A' ' 32' ' ' LYS . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' CD2' HD23 ' A' ' 41' ' ' LEU . 18.8 m-70 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.433 ' N ' HD11 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 66' ' ' HIS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CD2' HD23 ' A' ' 41' ' ' LEU . 6.2 m-70 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 58' ' ' MET . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 66' ' ' HIS . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 60' ' ' VAL . 10.1 m80 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.463 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.47 ' C ' ' CD ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 100' ' ' VAL . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 99' ' ' VAL . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 77' ' ' ASP . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 56' ' ' HIS . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' N ' ' HE1' ' A' ' 58' ' ' MET . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' ' N ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.446 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 70' ' ' ILE . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' N ' HG23 ' A' ' 69' ' ' ILE . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.418 ' C ' HD13 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 60' ' ' VAL . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CG2' ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 69' ' ' ILE . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -57.5 119.96 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -38.57 -52.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.9 -148.46 20.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -125.64 162.16 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -47.69 132.78 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 133.2 2.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 87' ' ' ASN . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.427 ' CZ3' HD21 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 70' ' ' ILE . 67.6 m80 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD21 ' CZ3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 56' ' ' HIS . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 36' ' ' LEU . 11.9 t-20 -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 159.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -70.16 155.94 39.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.63 65.62 9.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 t -59.6 124.67 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.81 167.77 40.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.9 4.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 t -93.65 154.89 17.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.0 m -100.45 113.15 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -77.44 176.59 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -153.6 122.69 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 62.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -129.51 87.33 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -108.05 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.86 151.16 20.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 39' ' ' PRO . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.463 ' CG ' HG13 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 41' ' ' LEU . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -54.35 141.35 30.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ALA . 14.4 pttp -34.96 -50.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -169.21 156.23 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.9 m -117.72 53.55 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.26 80.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.9 m 45.47 37.41 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.1 p -91.5 140.32 29.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -100.2 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -164.99 150.05 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 -86.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -138.26 116.69 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -113.32 163.43 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.19 167.03 33.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.7 t60 -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' N ' ' HE2' ' A' ' 58' ' ' MET . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HE2' ' N ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 94' ' ' PHE . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.591 HD22 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.98 170.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -109.54 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -49.63 145.56 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 m -77.23 57.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.54 84.47 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.8 58.26 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.3 m -119.68 -175.46 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.8 t -49.86 152.35 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -66.86 93.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.45 84.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.25 175.43 13.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -92.21 46.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -101.21 86.03 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.68 166.75 24.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.551 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 65.3 m80 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG23 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' CE1' HG23 ' A' ' 60' ' ' VAL . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 56' ' ' HIS . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 100' ' ' VAL . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.402 ' N ' HG12 ' A' ' 99' ' ' VAL . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.92 155.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -64.15 -48.31 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -114.85 134.86 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.9 m -94.0 137.26 33.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.1 148.52 4.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.299 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t 67.92 46.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -93.82 -56.66 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -54.5 127.77 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -48.47 109.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.97 37.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -68.8 92.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -118.36 82.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 150.87 9.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 ' C ' HG23 ' A' ' 21' ' ' VAL . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 20' ' ' THR . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 27' ' ' CYS . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.444 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 149.85 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -76.01 134.25 40.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.85 132.95 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -163.81 149.66 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 143.04 -179.7 20.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -22.76 31.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 t -128.61 160.71 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t -85.4 114.18 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 62.98 42.7 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -94.88 139.24 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 155.97 6.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -105.59 48.11 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -106.95 109.52 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.44 147.09 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' CD ' ' HA ' ' A' ' 103' ' ' LYS . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.552 ' CE1' HG13 ' A' ' 60' ' ' VAL . 9.5 m80 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.442 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 83' ' ' CYS . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 82' ' ' THR . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 158.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.406 ' HA ' ' CD ' ' A' ' 22' ' ' GLN . 17.7 pttp -78.6 -29.97 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -142.43 170.23 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 t -167.3 110.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.72 146.17 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 101.73 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -91.02 128.81 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.7 p -47.5 -43.89 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.75 150.01 28.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.345 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -96.74 153.28 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.8 -177.61 26.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 119.98 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -85.17 140.63 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 176.07 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 39' ' ' PRO . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' CG ' HG13 ' A' ' 33' ' ' VAL . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 130.05 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -47.37 -38.1 12.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -165.27 130.21 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.7 p -52.72 126.25 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.34 -90.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.427 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -35.35 13.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -40.47 140.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.4 t -112.42 103.67 11.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -66.1 -46.4 77.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -67.34 133.52 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 159.29 27.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.64 122.78 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -57.28 136.1 56.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.44 152.19 6.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 70' ' ' ILE . 59.6 m80 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.48 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 56' ' ' HIS . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.47 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.54 162.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -78.62 148.58 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 3.5 mt-10 -144.49 154.87 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 160.55 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.01 -179.67 32.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.22 35.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -143.89 149.87 37.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -42.28 126.12 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -169.92 158.42 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -114.78 -176.36 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.39 149.69 21.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -160.58 179.45 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -52.49 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.32 -164.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.428 ' CG2' ' HB1' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -72.61 152.77 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ALA . 43.0 pttt -37.42 -37.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -144.18 121.93 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.0 m -145.42 140.85 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.06 76.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -71.75 123.45 22.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.5 p -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -51.33 172.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -83.93 -50.04 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.91 -106.24 2.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -75.74 120.58 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -41.15 111.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.97 152.88 19.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' CD ' ' C ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG11 ' CG ' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 100' ' ' VAL . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.421 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.27 149.29 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -46.47 152.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.16 140.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.3 p -76.19 170.42 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.74 -177.91 51.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 136.6 33.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -45.62 156.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 m -70.53 115.76 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -137.72 174.57 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -108.43 163.54 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.24 -73.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 41.07 40.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -103.91 133.94 48.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.62 134.48 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 70' ' ' ILE . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' HIS . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 97' ' ' GLU . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' N ' HD11 ' A' ' 96' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.3 145.9 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -51.73 -58.0 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -114.31 80.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.5 t -59.92 135.64 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 123.52 -174.74 16.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 120.55 7.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t -160.16 117.17 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.8 t -110.84 133.34 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -135.73 151.64 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -90.9 38.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.36 -86.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -61.14 133.29 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -51.6 130.86 29.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 155.41 7.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' CD ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD23 ' CD2' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' CD ' ' A' ' 32' ' ' LYS . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' CD2' HD23 ' A' ' 41' ' ' LEU . 18.8 m-70 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.41 144.81 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -44.5 -40.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 25.3 mt-10 -107.99 120.87 43.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 t -71.26 150.63 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.2 -156.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.7 41.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -63.08 156.24 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -110.66 155.84 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -122.13 138.09 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -168.99 138.77 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -88.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -119.36 115.24 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -115.78 86.55 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 172.2 43.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' N ' HD11 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.35 155.43 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -89.93 -53.96 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -170.31 143.27 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 p -110.83 156.8 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.31 147.13 16.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -10.32 28.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.2 m -101.26 130.87 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -129.91 160.21 34.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.44 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 60.0 43.07 15.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -87.85 -62.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 94.15 -48.04 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.4 p -35.93 132.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -153.71 133.54 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.74 155.42 12.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.419 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 66' ' ' HIS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CD2' HD23 ' A' ' 41' ' ' LEU . 6.2 m-70 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 139.2 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -71.25 -47.84 54.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -141.07 166.83 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 m -122.93 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.22 -176.66 38.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -143.78 161.72 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 t -106.31 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -80.31 -46.9 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 53.31 41.91 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.57 145.38 18.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.78 155.11 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -76.44 130.76 38.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 146.44 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 58' ' ' MET . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 66' ' ' HIS . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 60' ' ' VAL . 10.1 m80 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.463 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.47 ' C ' ' CD ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 100' ' ' VAL . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 99' ' ' VAL . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 158.18 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -83.34 149.86 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.53 150.41 24.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t -133.91 119.77 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 153.39 172.15 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.26 30.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -45.05 123.52 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -117.08 -50.39 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -160.97 152.39 19.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -103.48 135.97 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 94.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -127.38 45.91 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -53.02 146.11 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 168.14 8.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.07 171.66 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -93.38 167.41 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.58 -49.52 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -164.85 123.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.28 152.02 7.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.9 Cg_endo -69.78 -33.99 15.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' PRO . 23.2 t -34.57 106.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.4 t -114.58 150.26 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -87.75 130.29 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 52.37 44.34 29.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.71 59.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -105.1 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -47.61 -35.79 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.07 148.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' NE2' ' OD1' ' A' ' 77' ' ' ASP . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 56' ' ' HIS . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.49 147.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -87.94 135.58 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.96 138.28 58.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -86.78 97.72 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.5 83.07 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -13.47 34.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.52 120.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -49.4 151.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -140.71 164.65 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -157.79 168.85 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.86 55.72 0.45 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.11 146.88 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -53.93 178.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.57 173.34 1.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' N ' ' HE1' ' A' ' 58' ' ' MET . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' ' N ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' CD1' ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.446 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 92' ' ' ASN . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.61 152.52 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -53.74 -29.36 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 143.91 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.2 t -79.93 123.65 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.26 148.57 18.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.02 19.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m 43.89 41.29 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 t 66.77 39.89 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -85.97 -49.39 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -100.58 141.77 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 56.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -49.28 162.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -101.17 168.74 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . -81.24 154.55 35.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 70' ' ' ILE . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' N ' HG23 ' A' ' 69' ' ' ILE . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.66 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -54.36 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -148.48 148.44 30.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.9 p -118.85 105.01 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.39 86.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 89.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -148.17 123.7 10.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 p -140.96 152.34 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -140.3 159.29 42.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.54 105.9 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 147.19 45.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -96.91 -48.62 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -77.16 -43.73 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 -173.07 18.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.418 ' C ' HD13 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 60' ' ' VAL . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CG2' ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 69' ' ' ILE . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.46 140.94 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -80.8 79.8 7.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 103' ' ' LYS . 6.0 pt-20 -34.19 98.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LYS . 1.9 m -77.2 126.33 30.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.67 -77.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.71 12.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -72.9 124.3 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -87.25 -32.82 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 32' ' ' LYS . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 13' ' ' LEU . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 8' ' ' PHE . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 38' ' ' THR . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 67' ' ' SER . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 32' ' ' LYS . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' HD12 ' A' ' 59' ' ' LEU . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD22 ' CE3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 100' ' ' VAL . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' HA ' HD21 ' A' ' 87' ' ' ASN . 0.3 OUTLIER -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 86' ' ' THR . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' ' 78' ' ' ALA . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 13' ' ' LEU . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.902 HD12 ' HD2' ' A' ' 32' ' ' LYS . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.525 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.902 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.783 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 66' ' ' HIS . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.456 ' NE2' HG13 ' A' ' 60' ' ' VAL . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.926 HD13 ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.926 ' OD1' HD13 ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.903 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 96' ' ' LEU . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 77' ' ' ASP . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.553 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 100' ' ' VAL . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' HD13 ' A' ' 26' ' ' LEU . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.552 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.64 ' N ' HD21 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.671 ' O ' HG12 ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 77' ' ' ASP . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' LYS . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' HG11 ' A' ' 100' ' ' VAL . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 70' ' ' ILE . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.599 ' CB ' HG12 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.599 HG12 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 48.6 m-70 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 69' ' ' ILE . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' CE1' HD21 ' A' ' 41' ' ' LEU . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 59' ' ' LEU . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.012 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 1.012 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 32' ' ' LYS . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 96' ' ' LEU . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.504 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 18' ' ' ASP . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 73' ' ' VAL . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.564 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 26' ' ' LEU . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 13' ' ' LEU . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 77' ' ' ASP . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 25' ' ' LYS . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 70' ' ' ILE . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.938 HG23 ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.938 ' HB3' HG23 ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.723 ' N ' HD12 ' A' ' 96' ' ' LEU . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 78' ' ' ALA . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 32' ' ' LYS . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.738 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.901 ' HD2' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.901 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.669 HG13 ' CE1' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 HH21 HG11 ' A' ' 65' ' ' VAL . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG11 HH21 ' A' ' 61' ' ' ARG . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.669 ' CE1' HG13 ' A' ' 60' ' ' VAL . 14.3 m-70 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.989 HD13 ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.989 ' OD1' HD13 ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.901 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.015 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 1.015 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 81' ' ' TYR . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 13' ' ' LEU . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 25' ' ' LYS . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 28' ' ' ARG . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.645 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 26' ' ' LEU . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 33' ' ' VAL . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' C ' HG12 ' A' ' 50' ' ' VAL . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' OE1' HD12 ' A' ' 84' ' ' ILE . 7.1 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' C ' ' A' ' 43' ' ' TRP . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 69' ' ' ILE . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 59' ' ' LEU . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.426 HD12 ' OE1' ' A' ' 44' ' ' GLN . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.862 ' HB2' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.726 HG23 ' HB2' ' A' ' 78' ' ' ALA . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' A' ' 32' ' ' LYS . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.685 ' CD ' HD12 ' A' ' 13' ' ' LEU . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.797 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.594 ' NE2' HD21 ' A' ' 41' ' ' LEU . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 59' ' ' LEU . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' HE1' HD23 ' A' ' 98' ' ' LEU . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB3' HG23 ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD23 ' HE1' ' A' ' 81' ' ' TYR . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CD2' HD23 ' A' ' 13' ' ' LEU . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' HD2' ' A' ' 32' ' ' LYS . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' A' ' 77' ' ' ASP . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CG ' HG21 ' A' ' 70' ' ' ILE . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.676 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HB2' HG23 ' A' ' 86' ' ' THR . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.424 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.713 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' HG22 ' A' ' 65' ' ' VAL . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 36' ' ' LEU . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 35' ' ' GLY . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.653 ' O ' HG12 ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 66' ' ' HIS . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' HG2' ' A' ' 32' ' ' LYS . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 60' ' ' VAL . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 27' ' ' CYS . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG13 ' OD2' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.689 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.434 ' HE2' HD23 ' A' ' 96' ' ' LEU . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 96' ' ' LEU . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.689 HG21 ' OD1' ' A' ' 77' ' ' ASP . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.403 ' N ' HD13 ' A' ' 26' ' ' LEU . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' C ' HG12 ' A' ' 50' ' ' VAL . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.639 HG22 ' CE1' ' A' ' 66' ' ' HIS . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.639 ' CE1' HG22 ' A' ' 60' ' ' VAL . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.65 ' OD2' HD21 ' A' ' 98' ' ' LEU . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' LEU . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 84' ' ' ILE . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 82' ' ' THR . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.735 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.65 HD21 ' OD2' ' A' ' 77' ' ' ASP . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.601 ' C ' HD12 ' A' ' 19' ' ' LEU . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 18' ' ' ASP . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' N ' HD22 ' A' ' 26' ' ' LEU . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 33' ' ' VAL . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 59' ' ' LEU . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.44 ' C ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.411 ' ND1' HD21 ' A' ' 41' ' ' LEU . 33.6 m80 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HD13 ' A' ' 59' ' ' LEU . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.423 ' HA ' HG11 ' A' ' 100' ' ' VAL . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 86' ' ' THR . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' A' ' 78' ' ' ALA . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.573 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.642 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.857 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.501 HD11 ' OE1' ' A' ' 97' ' ' GLU . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.545 ' HE1' HD23 ' A' ' 98' ' ' LEU . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB2' HG23 ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.601 ' N ' HD12 ' A' ' 96' ' ' LEU . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HE1' ' A' ' 81' ' ' TYR . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.857 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HG3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.822 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 48' ' ' LYS . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 45' ' ' LEU . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.618 HG22 ' HG3' ' A' ' 32' ' ' LYS . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.514 ' ND1' HD21 ' A' ' 41' ' ' LEU . 13.3 m80 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' ASP . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 ' OD2' ' A' ' 77' ' ' ASP . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.675 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.822 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.789 ' HB2' HG23 ' A' ' 86' ' ' THR . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.523 ' N ' HD12 ' A' ' 96' ' ' LEU . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.675 HG21 ' OD1' ' A' ' 77' ' ' ASP . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.48 ' O ' HD23 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.723 ' O ' HG12 ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.52 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.455 HD12 HD11 ' A' ' 59' ' ' LEU . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.414 HD13 ' OD2' ' A' ' 77' ' ' ASP . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 8' ' ' PHE . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.952 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.714 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' OD1' ' A' ' 77' ' ' ASP . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.612 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 33' ' ' VAL . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.449 ' C ' HG12 ' A' ' 50' ' ' VAL . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 81' ' ' TYR . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HD11 ' A' ' 59' ' ' LEU . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.776 ' CE2' HD13 ' A' ' 45' ' ' LEU . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.888 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.888 ' HB2' HG23 ' A' ' 86' ' ' THR . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' HG2' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.467 HD23 ' HE1' ' A' ' 81' ' ' TYR . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' N ' HD22 ' A' ' 26' ' ' LEU . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HG2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' O ' HG12 ' A' ' 50' ' ' VAL . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 43' ' ' TRP . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 32' ' ' LYS . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 26' ' ' LEU . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 26' ' ' LEU . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' LYS . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.913 ' HB3' HG23 ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 94' ' ' PHE . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.509 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 36' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.659 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 7' ' ' GLY . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 88' ' ' ARG . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.965 HD13 ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.965 ' OD1' HD13 ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.854 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.854 ' HB2' HG23 ' A' ' 86' ' ' THR . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 96' ' ' LEU . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' OD2' ' A' ' 77' ' ' ASP . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' O ' HG12 ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.425 ' C ' HD12 ' A' ' 59' ' ' LEU . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 58' ' ' MET . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.635 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.635 ' HB2' HG23 ' A' ' 86' ' ' THR . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' LEU . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 65' ' ' VAL . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 33' ' ' VAL . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HD3' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.512 ' C ' HD12 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.503 HG22 ' HG2' ' A' ' 32' ' ' LYS . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.547 ' CD2' HD21 ' A' ' 41' ' ' LEU . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.59 HG22 ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.482 ' HE1' HD23 ' A' ' 98' ' ' LEU . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.93 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 81' ' ' TYR . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -57.5 119.96 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -38.57 -52.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.9 -148.46 20.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -125.64 162.16 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -47.69 132.78 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 133.2 2.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 32' ' ' LYS . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 13' ' ' LEU . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 8' ' ' PHE . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 38' ' ' THR . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 67' ' ' SER . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 32' ' ' LYS . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' HD12 ' A' ' 59' ' ' LEU . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD22 ' CE3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 100' ' ' VAL . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' HA ' HD21 ' A' ' 87' ' ' ASN . 0.3 OUTLIER -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 86' ' ' THR . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' ' 78' ' ' ALA . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 159.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -70.16 155.94 39.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.63 65.62 9.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 t -59.6 124.67 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.81 167.77 40.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.9 4.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 t -93.65 154.89 17.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.0 m -100.45 113.15 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -77.44 176.59 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -153.6 122.69 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 62.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -129.51 87.33 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.726 ' O ' HD23 ' A' ' 36' ' ' LEU . 22.2 t -108.05 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.86 151.16 20.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 13' ' ' LEU . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.902 HD12 ' HD2' ' A' ' 32' ' ' LYS . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.525 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.902 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 6' ' ' SER . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.783 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 66' ' ' HIS . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.456 ' NE2' HG13 ' A' ' 60' ' ' VAL . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.926 HD13 ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.926 ' OD1' HD13 ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.903 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 96' ' ' LEU . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 77' ' ' ASP . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -54.35 141.35 30.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ALA . 14.4 pttp -34.96 -50.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -169.21 156.23 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.9 m -117.72 53.55 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.26 80.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.9 m 45.47 37.41 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.1 p -91.5 140.32 29.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -100.2 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -164.99 150.05 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 -86.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -138.26 116.69 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -113.32 163.43 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.19 167.03 33.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.553 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 100' ' ' VAL . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' HD13 ' A' ' 26' ' ' LEU . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.64 ' N ' HD21 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.671 ' O ' HG12 ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 77' ' ' ASP . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' LYS . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' HG11 ' A' ' 100' ' ' VAL . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 70' ' ' ILE . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.599 ' CB ' HG12 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.599 HG12 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.98 170.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -109.54 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -49.63 145.56 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 m -77.23 57.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.54 84.47 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.8 58.26 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.3 m -119.68 -175.46 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.8 t -49.86 152.35 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -66.86 93.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.45 84.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.25 175.43 13.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -92.21 46.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -101.21 86.03 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.68 166.75 24.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 48.6 m-70 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 69' ' ' ILE . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' CE1' HD21 ' A' ' 41' ' ' LEU . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 59' ' ' LEU . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.012 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 1.012 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.92 155.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -64.15 -48.31 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -114.85 134.86 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.9 m -94.0 137.26 33.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.1 148.52 4.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.299 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t 67.92 46.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -93.82 -56.66 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -54.5 127.77 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -48.47 109.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.97 37.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -68.8 92.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -118.36 82.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 150.87 9.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 32' ' ' LYS . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 96' ' ' LEU . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.504 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 18' ' ' ASP . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 73' ' ' VAL . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.564 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 26' ' ' LEU . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 13' ' ' LEU . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 77' ' ' ASP . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 25' ' ' LYS . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 70' ' ' ILE . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.938 HG23 ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.938 ' HB3' HG23 ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.723 ' N ' HD12 ' A' ' 96' ' ' LEU . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 78' ' ' ALA . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 149.85 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -76.01 134.25 40.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.85 132.95 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -163.81 149.66 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 143.04 -179.7 20.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -22.76 31.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 t -128.61 160.71 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t -85.4 114.18 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 62.98 42.7 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -94.88 139.24 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 155.97 6.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -105.59 48.11 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -106.95 109.52 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.44 147.09 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 32' ' ' LYS . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 103' ' ' LYS . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.738 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.901 ' HD2' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.901 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.669 HG13 ' CE1' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 HH21 HG11 ' A' ' 65' ' ' VAL . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG11 HH21 ' A' ' 61' ' ' ARG . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.669 ' CE1' HG13 ' A' ' 60' ' ' VAL . 14.3 m-70 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.989 HD13 ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.989 ' OD1' HD13 ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.901 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.015 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 1.015 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 81' ' ' TYR . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 158.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.415 ' HA ' ' CD ' ' A' ' 22' ' ' GLN . 17.7 pttp -78.6 -29.97 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -142.43 170.23 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 t -167.3 110.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.72 146.17 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 101.73 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -91.02 128.81 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.7 p -47.5 -43.89 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.75 150.01 28.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.345 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -96.74 153.28 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.8 -177.61 26.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 119.98 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -85.17 140.63 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 176.07 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 13' ' ' LEU . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 25' ' ' LYS . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 28' ' ' ARG . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.645 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 26' ' ' LEU . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 33' ' ' VAL . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' C ' HG12 ' A' ' 50' ' ' VAL . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' OE1' HD12 ' A' ' 84' ' ' ILE . 7.1 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' C ' ' A' ' 43' ' ' TRP . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 69' ' ' ILE . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 59' ' ' LEU . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.426 HD12 ' OE1' ' A' ' 44' ' ' GLN . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.862 ' HB2' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.726 HG23 ' HB2' ' A' ' 78' ' ' ALA . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 130.05 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 17.9 pttm -47.37 -38.1 12.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 10.4 mt-10 -165.27 130.21 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.7 p -52.72 126.25 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.34 -90.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.427 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -35.35 13.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -40.47 140.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.4 t -112.42 103.67 11.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -66.1 -46.4 77.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -67.34 133.52 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 159.29 27.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.64 122.78 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -57.28 136.1 56.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.44 152.19 6.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' A' ' 32' ' ' LYS . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.685 ' CD ' HD12 ' A' ' 13' ' ' LEU . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.797 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.594 ' NE2' HD21 ' A' ' 41' ' ' LEU . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 59' ' ' LEU . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' HE1' HD23 ' A' ' 98' ' ' LEU . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB3' HG23 ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD23 ' HE1' ' A' ' 81' ' ' TYR . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.54 162.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -78.62 148.58 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 3.5 mt-10 -144.49 154.87 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 160.55 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.01 -179.67 32.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.22 35.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -143.89 149.87 37.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -42.28 126.12 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -169.92 158.42 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -114.78 -176.36 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.39 149.69 21.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -160.58 179.45 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -52.49 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.32 -164.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CD2' HD23 ' A' ' 13' ' ' LEU . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' HD2' ' A' ' 32' ' ' LYS . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' A' ' 77' ' ' ASP . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CG ' HG21 ' A' ' 70' ' ' ILE . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.676 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HB2' HG23 ' A' ' 86' ' ' THR . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.424 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -72.61 152.77 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ALA . 43.0 pttt -37.42 -37.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -144.18 121.93 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.0 m -145.42 140.85 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.06 76.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -71.75 123.45 22.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.5 p -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -51.33 172.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -83.93 -50.04 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.91 -106.24 2.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -75.74 120.58 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -41.15 111.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.97 152.88 19.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.713 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' HG22 ' A' ' 65' ' ' VAL . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 36' ' ' LEU . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 35' ' ' GLY . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.653 ' O ' HG12 ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 66' ' ' HIS . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' HG2' ' A' ' 32' ' ' LYS . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 60' ' ' VAL . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 27' ' ' CYS . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG13 ' OD2' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.689 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.434 ' HE2' HD23 ' A' ' 96' ' ' LEU . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 96' ' ' LEU . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.689 HG21 ' OD1' ' A' ' 77' ' ' ASP . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.27 149.29 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -46.47 152.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.16 140.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.3 p -76.19 170.42 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.74 -177.91 51.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 136.6 33.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -45.62 156.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 m -70.53 115.76 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -137.72 174.57 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -108.43 163.54 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.24 -73.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 41.07 40.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -103.91 133.94 48.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.62 134.48 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.403 ' N ' HD13 ' A' ' 26' ' ' LEU . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' C ' HG12 ' A' ' 50' ' ' VAL . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.639 HG22 ' CE1' ' A' ' 66' ' ' HIS . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.639 ' CE1' HG22 ' A' ' 60' ' ' VAL . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.65 ' OD2' HD21 ' A' ' 98' ' ' LEU . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' LEU . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 84' ' ' ILE . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 82' ' ' THR . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.735 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD21 ' OD2' ' A' ' 77' ' ' ASP . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.3 145.9 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -51.73 -58.0 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -114.31 80.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.5 t -59.92 135.64 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 123.52 -174.74 16.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 120.55 7.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t -160.16 117.17 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.8 t -110.84 133.34 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -135.73 151.64 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -90.9 38.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.36 -86.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -61.14 133.29 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -51.6 130.86 29.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 155.41 7.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.601 ' C ' HD12 ' A' ' 19' ' ' LEU . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 18' ' ' ASP . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' N ' HD22 ' A' ' 26' ' ' LEU . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 33' ' ' VAL . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 59' ' ' LEU . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.44 ' C ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.411 ' ND1' HD21 ' A' ' 41' ' ' LEU . 33.6 m80 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HD13 ' A' ' 59' ' ' LEU . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.423 ' HA ' HG11 ' A' ' 100' ' ' VAL . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 86' ' ' THR . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' A' ' 78' ' ' ALA . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.41 144.81 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -44.5 -40.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 25.3 mt-10 -107.99 120.87 43.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 t -71.26 150.63 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.2 -156.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.7 41.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -63.08 156.24 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -110.66 155.84 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -122.13 138.09 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -168.99 138.77 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -88.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -119.36 115.24 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -115.78 86.55 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 172.2 43.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.642 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.857 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.501 HD11 ' OE1' ' A' ' 97' ' ' GLU . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.545 ' HE1' HD23 ' A' ' 98' ' ' LEU . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB2' HG23 ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.601 ' N ' HD12 ' A' ' 96' ' ' LEU . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HE1' ' A' ' 81' ' ' TYR . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.857 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.35 155.43 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -89.93 -53.96 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -170.31 143.27 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 p -110.83 156.8 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.31 147.13 16.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -10.32 28.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.2 m -101.26 130.87 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -129.91 160.21 34.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.44 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 60.0 43.07 15.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -87.85 -62.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 94.15 -48.04 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.4 p -35.93 132.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -153.71 133.54 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.74 155.42 12.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HG3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.822 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 48' ' ' LYS . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 45' ' ' LEU . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.618 HG22 ' HG3' ' A' ' 32' ' ' LYS . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.514 ' ND1' HD21 ' A' ' 41' ' ' LEU . 13.3 m80 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' ASP . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 ' OD2' ' A' ' 77' ' ' ASP . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.675 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.822 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.789 ' HB2' HG23 ' A' ' 86' ' ' THR . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' N ' HD12 ' A' ' 96' ' ' LEU . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.675 HG21 ' OD1' ' A' ' 77' ' ' ASP . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 139.2 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -71.25 -47.84 54.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -141.07 166.83 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 m -122.93 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.22 -176.66 38.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -143.78 161.72 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 t -106.31 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -80.31 -46.9 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 53.31 41.91 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.57 145.38 18.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.78 155.11 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -76.44 130.76 38.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 146.44 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.48 ' O ' HD23 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.723 ' O ' HG12 ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.52 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.455 HD12 HD11 ' A' ' 59' ' ' LEU . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.414 HD13 ' OD2' ' A' ' 77' ' ' ASP . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 8' ' ' PHE . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.952 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.714 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' OD1' ' A' ' 77' ' ' ASP . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 158.18 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -83.34 149.86 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.53 150.41 24.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t -133.91 119.77 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 153.39 172.15 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.26 30.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -45.05 123.52 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -117.08 -50.39 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -160.97 152.39 19.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -103.48 135.97 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 94.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -127.38 45.91 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -53.02 146.11 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 168.14 8.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.612 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 33' ' ' VAL . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.449 ' C ' HG12 ' A' ' 50' ' ' VAL . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 81' ' ' TYR . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HD11 ' A' ' 59' ' ' LEU . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.776 ' CE2' HD13 ' A' ' 45' ' ' LEU . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.888 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.888 ' HB2' HG23 ' A' ' 86' ' ' THR . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' HG2' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.467 HD23 ' HE1' ' A' ' 81' ' ' TYR . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.07 171.66 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -93.38 167.41 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 105' ' ' SER . 14.7 pt-20 -39.58 -49.52 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 89.0 p -164.85 123.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.28 152.02 7.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.9 Cg_endo -69.78 -33.99 15.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' PRO . 23.2 t -34.57 106.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.4 t -114.58 150.26 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -87.75 130.29 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 52.37 44.34 29.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.71 59.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -105.1 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -47.61 -35.79 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.07 148.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' N ' HD22 ' A' ' 26' ' ' LEU . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HG2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' O ' HG12 ' A' ' 50' ' ' VAL . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 43' ' ' TRP . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 32' ' ' LYS . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 26' ' ' LEU . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 26' ' ' LEU . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' LYS . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.913 ' HB3' HG23 ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 94' ' ' PHE . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.509 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.49 147.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -87.94 135.58 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.96 138.28 58.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -86.78 97.72 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.5 83.07 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -13.47 34.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.52 120.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -49.4 151.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -140.71 164.65 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -157.79 168.85 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.86 55.72 0.45 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.11 146.88 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -53.93 178.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 36' ' ' LEU . . . 61.57 173.34 1.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.659 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 7' ' ' GLY . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 88' ' ' ARG . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.965 HD13 ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.965 ' OD1' HD13 ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.854 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.854 ' HB2' HG23 ' A' ' 86' ' ' THR . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 96' ' ' LEU . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' OD2' ' A' ' 77' ' ' ASP . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.61 152.52 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -53.74 -29.36 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 143.91 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.2 t -79.93 123.65 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.26 148.57 18.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.02 19.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m 43.89 41.29 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 t 66.77 39.89 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -85.97 -49.39 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -100.58 141.77 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 56.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -49.28 162.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -101.17 168.74 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . -81.24 154.55 35.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' O ' HG12 ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.425 ' C ' HD12 ' A' ' 59' ' ' LEU . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 58' ' ' MET . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.635 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.635 ' HB2' HG23 ' A' ' 86' ' ' THR . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.66 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -54.36 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -148.48 148.44 30.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.9 p -118.85 105.01 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.39 86.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 89.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -148.17 123.7 10.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 p -140.96 152.34 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -140.3 159.29 42.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.54 105.9 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 147.19 45.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -96.91 -48.62 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -77.16 -43.73 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 -173.07 18.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' LEU . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 65' ' ' VAL . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 33' ' ' VAL . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HD3' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.512 ' C ' HD12 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.503 HG22 ' HG2' ' A' ' 32' ' ' LYS . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.547 ' CD2' HD21 ' A' ' 41' ' ' LEU . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.59 HG22 ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.482 ' HE1' HD23 ' A' ' 98' ' ' LEU . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.93 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 81' ' ' TYR . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.46 140.94 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -80.8 79.8 7.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 103' ' ' LYS . 6.0 pt-20 -34.19 98.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LYS . 1.9 m -77.2 126.33 30.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.67 -77.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.71 12.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -72.9 124.3 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -87.25 -32.82 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 32' ' ' LYS . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 13' ' ' LEU . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 ' N ' HD21 ' A' ' 87' ' ' ASN . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 38' ' ' THR . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' A' ' 70' ' ' ILE . 67.6 m80 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 67' ' ' SER . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 32' ' ' LYS . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' HD12 ' A' ' 59' ' ' LEU . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD22 ' CE3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 56' ' ' HIS . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 100' ' ' VAL . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.751 HD21 ' N ' ' A' ' 36' ' ' LEU . 11.9 t-20 -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 86' ' ' THR . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' ' 78' ' ' ALA . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 13' ' ' LEU . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.902 HD12 ' HD2' ' A' ' 32' ' ' LYS . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.525 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.902 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.783 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 66' ' ' HIS . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.456 ' NE2' HG13 ' A' ' 60' ' ' VAL . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.926 HD13 ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.926 ' OD1' HD13 ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.903 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 96' ' ' LEU . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 77' ' ' ASP . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.7 t60 -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.553 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 100' ' ' VAL . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' HD13 ' A' ' 26' ' ' LEU . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.552 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.64 ' N ' HD21 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.671 ' O ' HG12 ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 77' ' ' ASP . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' LYS . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' HG11 ' A' ' 100' ' ' VAL . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 70' ' ' ILE . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.599 ' CB ' HG12 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.599 HG12 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.551 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 65.3 m80 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 69' ' ' ILE . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' CE1' HD21 ' A' ' 41' ' ' LEU . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 59' ' ' LEU . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 56' ' ' HIS . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.012 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 1.012 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 32' ' ' LYS . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 96' ' ' LEU . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.504 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 18' ' ' ASP . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 73' ' ' VAL . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.564 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 26' ' ' LEU . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 13' ' ' LEU . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 77' ' ' ASP . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 25' ' ' LYS . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 70' ' ' ILE . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.938 HG23 ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.938 ' HB3' HG23 ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.723 ' N ' HD12 ' A' ' 96' ' ' LEU . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 78' ' ' ALA . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 32' ' ' LYS . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.738 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.901 ' HD2' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.901 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 HH21 HG11 ' A' ' 65' ' ' VAL . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG11 HH21 ' A' ' 61' ' ' ARG . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.735 ' CD2' HG22 ' A' ' 60' ' ' VAL . 9.5 m80 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.989 HD13 ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.989 ' OD1' HD13 ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.901 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.015 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 1.015 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 81' ' ' TYR . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 13' ' ' LEU . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 25' ' ' LYS . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 28' ' ' ARG . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.645 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 26' ' ' LEU . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 33' ' ' VAL . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' C ' HG12 ' A' ' 50' ' ' VAL . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.578 HE21 HD12 ' A' ' 84' ' ' ILE . 36.2 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' C ' ' A' ' 43' ' ' TRP . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 69' ' ' ILE . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 59' ' ' LEU . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.578 HD12 HE21 ' A' ' 44' ' ' GLN . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.862 ' HB2' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.726 HG23 ' HB2' ' A' ' 78' ' ' ALA . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' A' ' 32' ' ' LYS . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.685 ' CD ' HD12 ' A' ' 13' ' ' LEU . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.797 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.472 ' CD2' HG12 ' A' ' 70' ' ' ILE . 59.6 m80 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.594 ' NE2' HD21 ' A' ' 41' ' ' LEU . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 59' ' ' LEU . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG12 ' CD2' ' A' ' 56' ' ' HIS . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' HE1' HD23 ' A' ' 98' ' ' LEU . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB3' HG23 ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD23 ' HE1' ' A' ' 81' ' ' TYR . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CD2' HD23 ' A' ' 13' ' ' LEU . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' HD2' ' A' ' 32' ' ' LYS . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' A' ' 77' ' ' ASP . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CG ' HG21 ' A' ' 70' ' ' ILE . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.676 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HB2' HG23 ' A' ' 86' ' ' THR . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.424 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.713 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' HG22 ' A' ' 65' ' ' VAL . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 36' ' ' LEU . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 35' ' ' GLY . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.653 ' O ' HG12 ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 66' ' ' HIS . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' HG2' ' A' ' 32' ' ' LYS . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 60' ' ' VAL . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 27' ' ' CYS . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG13 ' OD2' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.689 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.434 ' HE2' HD23 ' A' ' 96' ' ' LEU . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 96' ' ' LEU . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.689 HG21 ' OD1' ' A' ' 77' ' ' ASP . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.403 ' N ' HD13 ' A' ' 26' ' ' LEU . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' C ' HG12 ' A' ' 50' ' ' VAL . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.639 HG22 ' CE1' ' A' ' 66' ' ' HIS . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.639 ' CE1' HG22 ' A' ' 60' ' ' VAL . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.65 ' OD2' HD21 ' A' ' 98' ' ' LEU . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' LEU . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 84' ' ' ILE . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 82' ' ' THR . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.735 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.65 HD21 ' OD2' ' A' ' 77' ' ' ASP . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.601 ' C ' HD12 ' A' ' 19' ' ' LEU . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 18' ' ' ASP . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' N ' HD22 ' A' ' 26' ' ' LEU . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 33' ' ' VAL . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' CD2' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 59' ' ' LEU . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.44 ' C ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.611 ' CD2' HD21 ' A' ' 41' ' ' LEU . 18.8 m-70 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HD13 ' A' ' 59' ' ' LEU . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.423 ' HA ' HG11 ' A' ' 100' ' ' VAL . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 86' ' ' THR . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' A' ' 78' ' ' ALA . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.573 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.642 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.857 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.501 HD11 ' OE1' ' A' ' 97' ' ' GLU . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.545 ' HE1' HD23 ' A' ' 98' ' ' LEU . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB2' HG23 ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.601 ' N ' HD12 ' A' ' 96' ' ' LEU . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HE1' ' A' ' 81' ' ' TYR . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.857 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HG3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.822 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.46 HE21 HD13 ' A' ' 84' ' ' ILE . 25.4 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 48' ' ' LYS . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 45' ' ' LEU . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.618 HG22 ' HG3' ' A' ' 32' ' ' LYS . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.2 m-70 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' ASP . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 ' OD2' ' A' ' 77' ' ' ASP . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.675 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.822 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.789 ' HB2' HG23 ' A' ' 86' ' ' THR . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.523 ' N ' HD12 ' A' ' 96' ' ' LEU . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.675 HG21 ' OD1' ' A' ' 77' ' ' ASP . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.48 ' O ' HD23 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.723 ' O ' HG12 ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.52 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.455 HD12 HD11 ' A' ' 59' ' ' LEU . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.414 HD13 ' OD2' ' A' ' 77' ' ' ASP . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 8' ' ' PHE . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.952 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.714 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' OD1' ' A' ' 77' ' ' ASP . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.612 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 33' ' ' VAL . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.449 ' C ' HG12 ' A' ' 50' ' ' VAL . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 81' ' ' TYR . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HD11 ' A' ' 59' ' ' LEU . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.776 ' CE2' HD13 ' A' ' 45' ' ' LEU . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.888 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.888 ' HB2' HG23 ' A' ' 86' ' ' THR . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' HG2' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.467 HD23 ' HE1' ' A' ' 81' ' ' TYR . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' N ' HD22 ' A' ' 26' ' ' LEU . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HG2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' O ' HG12 ' A' ' 50' ' ' VAL . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 43' ' ' TRP . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 32' ' ' LYS . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 26' ' ' LEU . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 26' ' ' LEU . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' LYS . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.913 ' HB3' HG23 ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 94' ' ' PHE . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.509 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 36' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.659 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 7' ' ' GLY . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 88' ' ' ARG . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.965 HD13 ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.965 ' OD1' HD13 ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.854 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.854 ' HB2' HG23 ' A' ' 86' ' ' THR . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 96' ' ' LEU . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' OD2' ' A' ' 77' ' ' ASP . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' O ' HG12 ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.425 ' C ' HD12 ' A' ' 59' ' ' LEU . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 58' ' ' MET . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.428 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 7.8 m-80 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.635 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.635 ' HB2' HG23 ' A' ' 86' ' ' THR . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' LEU . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 65' ' ' VAL . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 33' ' ' VAL . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HD3' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.512 ' C ' HD12 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.503 HG22 ' HG2' ' A' ' 32' ' ' LYS . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.547 ' CD2' HD21 ' A' ' 41' ' ' LEU . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.59 HG22 ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.482 ' HE1' HD23 ' A' ' 98' ' ' LEU . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.93 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 81' ' ' TYR . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -57.5 119.96 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -38.57 -52.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.9 -148.46 20.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -125.64 162.16 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -47.69 132.78 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 133.2 2.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.74 151.42 38.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 12.5 mtt180 -57.79 150.08 49.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.73 113.66 3.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -123.78 119.5 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.61 108.36 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 32' ' ' LYS . 77.7 mt -67.14 -52.15 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -122.76 114.28 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.23 33.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.532 0.682 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.54 -120.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.75 104.55 13.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.0 168.93 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.53 126.86 28.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 25' ' ' LYS . 42.2 t -139.75 129.06 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.9 tt0 -72.98 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' GLN . 32.5 tt0 -35.45 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.21 26.85 60.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 21' ' ' VAL . 37.8 mmtt -122.62 173.83 7.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -85.74 132.58 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.13 104.22 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -104.67 145.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtt -136.96 136.16 38.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -123.41 141.81 51.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -156.79 129.73 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 13' ' ' LEU . 19.3 tttp -111.72 137.34 49.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.39 131.96 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 22.7 t -98.5 138.55 35.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.65 161.65 11.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 ' N ' HD21 ' A' ' 87' ' ' ASN . 13.9 mt -142.4 157.86 61.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.77 -21.1 10.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 38' ' ' THR . 1.9 m -175.49 105.03 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 115.63 4.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.54 125.91 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -120.39 148.72 43.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 138.88 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' A' ' 68' ' ' LEU . 87.3 m95 -83.2 143.64 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -141.4 126.13 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -115.69 116.55 28.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 58.45 46.9 14.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.48 38.35 96.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -147.1 144.01 19.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.1 129.43 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.04 143.85 28.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -132.3 -179.26 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.5 t -43.74 -31.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.78 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' A' ' 70' ' ' ILE . 67.6 m80 -83.17 117.69 23.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -120.46 119.77 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 mtt -98.2 136.5 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 67' ' ' SER . 46.6 mt -109.4 145.99 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.79 108.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 14.1 mmp_? -87.9 178.01 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.34 21.4 11.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -130.54 6.51 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.34 63.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 32' ' ' LYS . 41.3 t -60.98 136.87 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -131.54 160.49 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' HD12 ' A' ' 59' ' ' LEU . 47.6 m -159.4 143.98 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD22 ' CE3' ' A' ' 43' ' ' TRP . 20.6 tp -124.24 106.32 10.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.72 142.19 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 56' ' ' HIS . 74.3 mt -134.3 131.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.1 tm-20 -172.37 124.43 0.49 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.73 -178.83 17.54 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.38 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.06 130.77 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -107.57 174.15 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 100' ' ' VAL . 60.4 p -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -71.79 -20.37 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -63.48 -27.95 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.16 130.35 40.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.41 -152.59 18.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.45 103.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -81.98 111.27 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -105.82 112.94 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -107.46 139.69 41.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -123.79 112.22 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.67 117.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.2 m -112.46 118.5 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.751 HD21 ' N ' ' A' ' 36' ' ' LEU . 11.9 t-20 -118.6 158.9 24.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -47.65 -20.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -85.09 -54.46 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.05 -143.22 3.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 86' ' ' THR . 15.2 tt0 -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.18 164.84 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t -154.4 164.19 39.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -153.52 162.12 41.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -119.51 156.15 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -156.48 161.01 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.0 tt0 -123.76 151.5 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -139.09 119.43 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.62 134.52 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' ' 78' ' ' ALA . 7.1 p -126.08 112.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.52 120.39 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 159.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -70.16 155.94 39.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.63 65.62 9.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 t -59.6 124.67 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.81 167.77 40.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.9 4.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 t -93.65 154.89 17.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.0 m -100.45 113.15 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -77.44 176.59 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -153.6 122.69 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 62.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -129.51 87.33 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.726 ' O ' HD23 ' A' ' 36' ' ' LEU . 22.2 t -108.05 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.86 151.16 20.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -112.33 145.76 39.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 33.7 ttm180 -61.39 140.98 94.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.691 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.68 103.88 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.739 2.292 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 13' ' ' LEU . 1.3 t60 -126.34 125.51 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -77.12 106.77 9.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.902 HD12 ' HD2' ' A' ' 32' ' ' LYS . 23.2 mt -75.65 -42.33 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.89 116.48 22.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.5 147.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.71 4.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.71 -138.73 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.22 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -108.17 160.91 15.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -127.24 131.08 50.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 89.7 t -142.19 135.88 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -80.28 138.75 36.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -43.53 133.56 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.31 34.68 45.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 24.3 mmmt -126.59 171.48 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.4 tm? -84.08 131.21 34.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.525 ' N ' HD13 ' A' ' 26' ' ' LEU . 43.7 t -130.77 104.2 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -113.73 145.15 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.1 162.01 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -138.93 137.27 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -144.69 127.25 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.902 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.2 tmtm? -106.13 124.4 49.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -130.4 136.32 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 t -105.12 137.09 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.31 153.76 8.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 6' ' ' SER . 14.5 tp -143.36 122.71 7.51 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 177.69 28.06 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.34 -0.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.7 p -43.06 129.72 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.05 11.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -85.2 101.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.783 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -106.17 158.2 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -135.98 130.45 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -77.46 145.54 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -140.92 124.12 16.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 81' ' ' TYR . 56.6 tp -108.53 109.52 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.25 50.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.44 9.55 24.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.5 mmtt -124.21 154.6 68.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.0 7.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.45 106.81 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.73 151.18 52.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.73 41.06 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.3 t70 -138.8 169.23 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 p -40.59 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -102.18 -51.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -79.82 108.65 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -113.69 123.88 50.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mtt -98.33 124.79 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.44 144.34 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 66' ' ' HIS . 40.4 t -134.57 106.11 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.98 144.82 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.16 -51.35 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -46.33 -50.07 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 -17.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.04 131.09 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.456 ' NE2' HG13 ' A' ' 60' ' ' VAL . 19.0 m170 -113.92 150.07 34.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 tp -116.9 109.99 17.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.9 mt -105.37 124.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.926 HD13 ' OD1' ' A' ' 77' ' ' ASP . 16.0 mt -116.86 125.51 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.8 tm-20 -167.46 124.51 0.93 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.8 -174.43 9.6 Favored 'Cis proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.333 -0.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -122.98 139.07 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -117.7 176.35 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -67.7 -24.09 65.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -75.56 -16.88 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.926 ' OD1' HD13 ' A' ' 70' ' ' ILE . 25.5 t70 -64.39 -24.04 67.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -72.08 129.94 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.68 -175.46 42.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.0 mm -98.28 98.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 45' ' ' LEU . 86.5 m-85 -77.94 102.74 7.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -103.77 122.49 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.81 145.17 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -123.83 106.61 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.84 108.87 19.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -108.74 114.51 28.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 60.8 t30 -118.05 153.0 34.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' ASN . 22.0 mmm180 -36.93 -37.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.8 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.48 -140.68 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.903 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -159.51 146.19 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -144.75 167.17 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -153.86 154.95 34.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.2 159.18 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 81.0 p -119.17 151.54 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -151.14 157.69 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 96' ' ' LEU . 24.3 tt0 -124.86 144.85 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 77' ' ' ASP . 7.3 tp -133.63 128.66 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.35 145.26 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.5 p -131.88 135.36 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.87 118.87 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -54.35 141.35 30.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ALA . 14.4 pttp -34.96 -50.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -169.21 156.23 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.9 m -117.72 53.55 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.26 80.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.9 m 45.47 37.41 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.1 p -91.5 140.32 29.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -100.2 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -164.99 150.05 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 -86.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -138.26 116.69 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -113.32 163.43 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.19 167.03 33.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -123.57 137.62 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 13.8 ttm180 -53.38 140.52 45.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.7 98.83 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.7 t60 -126.3 133.91 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.73 105.4 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.65 -55.64 32.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -125.05 113.37 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 142.89 33.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.56 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.78 -111.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.553 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -99.78 134.11 43.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.8 mp -135.21 161.87 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -134.99 114.82 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 100' ' ' VAL . 25.0 t -130.78 129.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -67.37 152.77 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -62.98 132.05 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.02 18.99 56.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 23.2 mmtp -117.74 173.87 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 26' ' ' LEU . 1.1 tm? -89.76 128.02 36.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' HD13 ' A' ' 26' ' ' LEU . 14.3 t -116.74 101.0 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -87.34 146.53 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.4 mtm -154.29 121.34 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.47 159.86 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.12 132.18 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -103.9 118.47 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.6 p -120.06 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -99.46 144.5 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 151.86 151.68 5.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.64 ' N ' HD21 ' A' ' 87' ' ' ASN . 9.0 mp -134.32 159.21 73.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.7 -28.58 6.16 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.358 -0.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -166.87 109.46 0.66 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.88 106.2 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.9 pt? -111.27 153.55 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -126.67 163.94 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.671 ' O ' HG12 ' A' ' 50' ' ' VAL . 90.6 m95 -109.27 131.06 55.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -132.49 128.21 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 57.1 tp -119.27 119.96 35.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 56.05 45.03 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.98 39.07 97.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -146.43 142.95 18.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.515 0.674 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.8 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 43' ' ' TRP . 5.6 p -75.13 126.2 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -111.48 144.89 31.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 129.87 18.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.87 -177.67 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -43.95 -26.92 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.08 -49.64 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -85.36 112.31 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -118.94 114.01 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -100.98 138.22 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.78 159.69 19.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.68 124.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -101.11 158.43 16.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ASN . 29.0 tp10 -71.02 -71.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' GLU . 91.6 m-20 -35.31 -47.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.86 69.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -145.34 147.71 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -132.07 154.91 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -146.35 126.12 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 44.3 tp -105.65 107.6 18.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.1 mt -102.68 135.17 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 77' ' ' ASP . 13.3 mt -131.79 113.39 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.9 tt0 -155.37 122.8 2.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.84 -164.24 2.51 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.325 0.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' LYS . 11.9 t -127.69 130.51 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -109.99 166.26 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' HG11 ' A' ' 100' ' ' VAL . 1.3 t -65.94 -15.99 63.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -81.04 -18.92 45.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 70' ' ' ILE . 24.8 m-20 -74.3 -19.94 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.599 ' CB ' HG12 ' A' ' 100' ' ' VAL . . . -79.02 137.97 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.99 25.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm -108.63 112.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 62.8 m-85 -88.76 111.83 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -104.2 99.21 8.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -98.41 144.21 28.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -129.14 115.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.1 117.06 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.1 m -113.78 116.77 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 36' ' ' LEU . 24.5 t30 -118.37 -176.14 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.11 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -73.76 -54.33 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.41 -144.07 3.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -150.28 150.43 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -146.39 165.81 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -147.96 163.24 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 4.8 p90 -158.92 136.0 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -109.66 148.2 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -142.55 157.17 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.6 ' N ' HD12 ' A' ' 96' ' ' LEU . 9.4 tt0 -107.35 142.65 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp -135.42 118.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -99.23 141.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.599 HG12 ' CB ' ' A' ' 78' ' ' ALA . 7.6 p -133.86 129.13 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.96 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.98 170.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -109.54 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -49.63 145.56 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 m -77.23 57.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.54 84.47 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.8 58.26 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.3 m -119.68 -175.46 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.8 t -49.86 152.35 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -66.86 93.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.45 84.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.25 175.43 13.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -92.21 46.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -101.21 86.03 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.68 166.75 24.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -135.56 162.53 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.3 ttp180 -69.43 140.59 90.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.3 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.551 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -140.71 118.84 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 83.1 m-85 -68.36 105.5 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.17 -50.81 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -117.56 122.62 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 145.38 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.58 -143.65 3.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.51 107.89 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mp -119.69 158.03 27.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -126.31 127.56 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -134.72 118.37 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' GLU . 51.3 tt0 -63.5 124.35 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' GLN . 37.6 tt0 -35.69 143.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.5 25.91 69.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -121.26 171.79 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.2 tm? -82.97 128.76 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.9 t -119.95 125.19 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -136.63 138.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.03 131.86 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -113.03 128.35 56.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.97 130.81 17.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -106.21 137.98 43.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -133.27 130.65 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -101.2 146.96 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.09 154.87 7.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.4 mp -143.37 124.83 8.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.75 -177.96 15.65 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 -0.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -45.25 126.71 5.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.84 10.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -82.06 105.03 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -104.4 152.5 22.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 p -136.65 124.19 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 68' ' ' LEU . 79.1 m95 -72.28 142.96 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -140.73 123.95 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 18.8 tp -115.61 141.72 47.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 2.6 p30 46.72 30.99 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.58 29.31 61.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -139.82 150.55 63.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 140.5 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -120.21 146.28 42.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' HIS . 11.5 t0 -127.63 -179.34 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -43.44 -31.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.86 -53.85 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 65.3 m80 -79.01 113.49 17.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -121.64 136.36 54.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 mtt -110.68 117.76 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 69' ' ' ILE . 6.5 mp -98.23 139.72 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' A' ' 66' ' ' HIS . 97.9 t -131.25 107.94 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.19 140.13 36.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -48.99 -57.48 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -38.37 -48.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.19 53.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 t -137.48 125.54 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' CE1' HD21 ' A' ' 41' ' ' LEU . 7.6 m170 -101.18 158.97 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -156.44 115.17 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 43' ' ' TRP . 19.3 tp -90.12 108.81 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 59' ' ' LEU . 70.1 mt -105.71 141.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 56' ' ' HIS . 21.1 mt -136.73 124.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -162.16 124.63 1.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.72 -165.23 2.82 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.341 -0.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.41 133.1 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.2 p -113.58 154.64 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.7 m -52.24 -17.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.3 -14.03 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.08 116.49 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.06 12.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -111.26 119.08 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.01 103.31 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -98.77 127.68 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.8 t -118.83 147.19 44.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.2 98.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -88.59 108.92 19.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.012 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.16 122.16 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 31.4 t30 -119.34 -176.24 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -66.2 -28.84 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . . . -77.71 -50.34 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.61 -140.77 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 1.012 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.54 158.54 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.976 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -162.08 172.09 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 1.9 t -151.24 164.9 35.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.08 145.75 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -112.1 149.15 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -149.18 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' LEU . 5.0 tp10 -119.18 147.16 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 tp -139.97 118.73 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.57 140.97 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.7 124.8 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.56 121.5 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.92 155.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -64.15 -48.31 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -114.85 134.86 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.9 m -94.0 137.26 33.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.1 148.52 4.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.299 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t 67.92 46.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -93.82 -56.66 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -54.5 127.77 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -48.47 109.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.97 37.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -68.8 92.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -118.36 82.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 150.87 9.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -120.01 121.67 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 50.1 ttt180 -39.38 139.21 0.86 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.74 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -124.59 137.03 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.98 105.67 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 32' ' ' LYS . 43.8 mt -54.47 -52.67 61.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -139.86 122.05 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.01 47.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 96' ' ' LEU . 54.2 Cg_endo -69.69 177.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.744 2.296 . . . . 0.0 112.376 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.69 -123.88 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.504 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.7 p-10 -97.16 114.19 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.358 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 18' ' ' ASP . 10.7 mp -124.03 156.91 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -126.84 131.4 51.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.6 t -139.04 123.07 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.2 tt0 -66.88 125.1 24.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.6 tt0 -35.08 139.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.66 59.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 73' ' ' VAL . 30.3 mmtt -127.08 173.54 9.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.8 tm? -82.82 127.88 33.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.564 ' N ' HD22 ' A' ' 26' ' ' LEU . 4.2 t -120.52 102.37 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 26' ' ' LEU . 40.7 mtm180 -98.8 157.29 16.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -159.62 117.29 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 143.94 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -145.13 132.82 21.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 13' ' ' LEU . 11.6 mttm -102.39 135.59 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.1 p -142.68 128.26 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.9 t -97.95 155.26 17.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.48 153.57 6.6 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 10.6 tp -141.08 121.24 8.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.72 -165.44 2.9 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.349 -0.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 127.41 89.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 131.28 20.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.38 96.61 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.1 pt? -95.92 155.14 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -122.7 132.94 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -76.7 143.65 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -143.42 124.73 14.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -109.72 132.1 54.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 45.25 46.65 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.08 41.15 99.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -151.25 151.43 29.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.8 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.53 135.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -116.32 147.03 38.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.94 49.37 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -143.7 178.97 7.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -45.5 -24.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.39 -51.7 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -76.84 113.08 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -120.57 118.69 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 mtt -97.77 133.62 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.08 153.47 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -138.91 109.59 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -87.9 128.44 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -42.96 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.72 -46.63 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.24 66.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -150.04 114.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -96.49 158.91 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -152.32 116.21 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.7 tp -87.68 106.35 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -102.4 117.7 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 77' ' ' ASP . 21.0 mt -116.79 122.0 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.7 tm-20 -164.91 124.05 1.22 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.78 -179.19 18.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.337 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 25' ' ' LYS . 22.5 t -110.49 133.97 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.7 p -117.91 167.2 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 m -65.16 -10.46 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -85.41 -14.74 45.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 70' ' ' ILE . 15.3 m-20 -76.28 -26.38 55.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -74.31 113.25 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.17 9.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mm -110.66 95.87 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.92 115.9 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.6 m -115.95 116.65 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 2.5 m -109.51 127.16 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.11 97.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -89.51 106.58 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.938 HG23 ' HB3' ' A' ' 91' ' ' GLN . 5.3 m -108.27 107.92 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -105.47 170.15 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -50.61 -37.43 40.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.91 -60.06 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.27 -149.13 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.938 ' HB3' HG23 ' A' ' 86' ' ' THR . 5.8 pt20 -162.84 151.14 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -140.53 173.94 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 p -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.6 p90 -148.26 136.73 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.8 p -111.87 160.37 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -154.92 158.65 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.723 ' N ' HD12 ' A' ' 96' ' ' LEU . 4.2 tp10 -116.1 142.78 46.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 78' ' ' ALA . 6.9 tp -129.82 120.89 25.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.06 143.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 78' ' ' ALA . 2.1 p -133.52 137.36 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.06 124.18 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 149.85 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -76.01 134.25 40.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.85 132.95 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -163.81 149.66 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 143.04 -179.7 20.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -22.76 31.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 t -128.61 160.71 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t -85.4 114.18 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 62.98 42.7 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 m -94.88 139.24 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 155.97 6.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -105.59 48.11 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -106.95 109.52 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.44 147.09 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -138.01 140.84 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 29.7 ttp180 -55.45 139.81 66.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.2 Cg_endo -69.79 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -130.74 120.06 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -70.84 105.51 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 32' ' ' LYS . 36.7 mt -68.64 -42.71 77.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.52 114.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.66 146.71 59.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.48 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.33 -120.11 1.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.74 104.14 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -108.35 167.01 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -134.35 135.49 42.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 95.0 t -151.14 119.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 103' ' ' LYS . 3.3 tt0 -62.13 139.74 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.75 122.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.62 12.89 46.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -110.65 171.48 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.1 tm? -83.11 132.96 35.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.738 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -127.29 111.58 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -113.64 152.03 30.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -145.84 140.58 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -130.89 136.87 49.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.96 131.27 26.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.901 ' HD2' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -106.14 114.06 27.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.7 p -120.37 129.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 p -90.82 152.35 20.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.27 153.34 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 37' ' ' PRO . 11.8 tp -144.92 123.78 6.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.82 -175.2 10.59 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.354 -0.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 p -56.04 123.66 54.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.7 130.57 19.65 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -93.47 93.99 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -85.42 148.17 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -110.47 123.9 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 89.3 m95 -73.14 145.95 46.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -151.03 124.04 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.901 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 46.6 tp -106.69 120.02 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 60.78 40.46 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.71 10.19 66.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -116.03 150.79 45.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 7.8 p -74.15 133.12 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.94 144.33 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.68 43.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.25 175.96 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.3 p -44.72 -38.36 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.73 -54.47 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -84.69 108.52 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -115.03 113.42 24.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 mtt -95.91 127.32 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.36 141.89 39.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 66' ' ' HIS . 86.1 t -134.13 93.47 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 HH21 HG11 ' A' ' 65' ' ' VAL . 11.7 mtm180 -69.23 140.97 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.83 -17.59 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -74.03 -25.71 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.67 -2.3 17.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG11 HH21 ' A' ' 61' ' ' ARG . 41.7 t -89.37 124.47 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.735 ' CD2' HG22 ' A' ' 60' ' ' VAL . 9.5 m80 -108.08 151.59 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -146.51 131.02 17.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.5 tp -108.65 98.45 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -94.51 128.98 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.989 HD13 ' OD1' ' A' ' 77' ' ' ASP . 18.2 mt -121.73 123.89 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.4 tm-20 -165.5 124.04 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.0 Cg_endo -69.75 -170.62 5.97 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.369 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.01 139.82 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -119.44 163.15 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -50.87 -37.48 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -60.48 -42.41 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.989 ' OD1' HD13 ' A' ' 70' ' ' ILE . 15.8 t70 -39.4 -38.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -66.54 116.4 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.45 -165.42 31.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.17 94.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.901 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 72.1 m-85 -76.46 110.87 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.1 m -115.87 137.37 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -124.31 152.94 42.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.28 98.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -88.39 105.58 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.015 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.3 m -115.68 111.95 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -115.3 -174.89 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -57.82 -36.18 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.23 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.57 -136.44 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 1.015 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.73 155.24 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.74 174.26 13.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.1 p -154.1 157.27 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -151.7 146.33 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.3 p -114.68 158.37 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 81' ' ' TYR . 2.3 pp -153.47 159.92 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -119.13 145.69 45.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.32 121.23 13.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.2 t -99.23 140.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.8 t -135.22 120.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.76 126.81 52.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 158.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.415 ' HA ' ' CD ' ' A' ' 22' ' ' GLN . 17.7 pttp -78.6 -29.97 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -142.43 170.23 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 t -167.3 110.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.72 146.17 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 101.73 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -91.02 128.81 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.7 p -47.5 -43.89 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.75 150.01 28.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.345 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -96.74 153.28 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.8 -177.61 26.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 119.98 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -85.17 140.63 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 176.07 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -117.36 127.0 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.4 ttm180 -47.86 139.81 8.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.75 104.18 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.9 120.6 28.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.82 106.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 13' ' ' LEU . 3.1 mm? -53.92 -51.67 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -134.2 127.24 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.81 149.4 43.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.5 -124.21 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.37 107.84 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.01 165.85 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -132.41 111.47 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 25' ' ' LYS . 47.3 t -125.58 123.89 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' GLU . 31.9 tt0 -69.8 126.15 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLN . 41.8 tt0 -35.2 139.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 25.54 59.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . 1.7 mmmp? -125.39 173.5 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 28' ' ' ARG . 2.8 tm? -83.28 132.08 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.645 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.6 t -126.45 99.78 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 26' ' ' LEU . 38.3 mtp85 -100.75 147.93 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 mtt -135.21 147.15 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.12 133.11 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.67 127.34 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.04 141.98 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 33' ' ' VAL . 9.3 p -140.77 127.29 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -95.14 136.32 35.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.64 153.89 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.4 tt -144.02 123.89 7.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.76 -166.84 3.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.359 -0.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.1 m -53.93 123.33 39.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.76 6.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.35 109.88 12.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -116.31 155.14 28.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -136.45 138.92 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' C ' HG12 ' A' ' 50' ' ' VAL . 92.9 m95 -86.65 145.61 26.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.578 HE21 HD12 ' A' ' 84' ' ' ILE . 36.2 mt-30 -136.78 131.3 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -120.51 121.52 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 60.05 43.79 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.18 39.48 97.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -151.43 151.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' C ' ' A' ' 43' ' ' TRP . 8.7 p -81.01 124.09 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -104.33 151.71 39.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.13 24.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.62 2.214 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -142.99 -177.21 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -43.62 -40.21 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.66 -49.6 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -79.17 106.3 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -117.1 105.9 12.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.29 122.34 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 69' ' ' ILE . 5.5 mp -96.93 154.58 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.12 106.44 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -77.81 159.52 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLY . 6.6 tp10 -80.23 -73.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' GLU . 94.0 m-20 -34.28 -34.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 128.3 74.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.5 t -156.49 141.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -117.91 158.15 25.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 m -151.65 120.74 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.6 tp -99.41 99.48 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 59' ' ' LEU . 72.6 mt -97.66 140.97 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.9 mt -135.15 109.05 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -154.95 124.53 3.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.734 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.7 Cg_endo -69.8 179.55 22.07 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.354 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.9 140.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 p -114.67 163.8 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -66.87 -9.99 43.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -90.35 -22.52 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.09 -20.01 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 100' ' ' VAL . . . -80.55 115.68 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.36 -147.68 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mm -113.21 98.87 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.88 105.82 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -101.47 105.07 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 37.3 t -95.2 153.16 17.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.578 HD12 HE21 ' A' ' 44' ' ' GLN . 19.3 mt -139.06 105.24 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.57 106.37 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.6 OUTLIER -106.17 118.49 36.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -118.58 169.07 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.6 -22.2 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.13 -60.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.97 -143.26 3.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.862 ' HB2' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -157.53 144.89 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -140.35 158.41 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 t -142.29 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 p90 -161.25 137.97 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.1 m -109.53 147.09 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.9 pp -138.96 163.52 32.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.1 tt0 -118.09 141.15 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.53 123.26 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.22 132.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.726 HG23 ' HB2' ' A' ' 78' ' ' ALA . 86.1 t -119.27 113.57 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.71 120.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 130.05 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 17.9 pttm -47.37 -38.1 12.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 10.4 mt-10 -165.27 130.21 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.7 p -52.72 126.25 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.34 -90.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.427 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -35.35 13.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -40.47 140.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.4 t -112.42 103.67 11.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -66.1 -46.4 77.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -67.34 133.52 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 159.29 27.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.64 122.78 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -57.28 136.1 56.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.44 152.19 6.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.17 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttp180 -61.41 139.67 94.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 1.9 t60 -135.54 131.45 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -79.88 105.51 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' A' ' 32' ' ' LYS . 35.3 mt -54.66 -48.04 72.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -133.33 127.72 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.32 44.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.45 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.37 -112.96 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.81 133.6 52.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 163.37 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -133.31 118.26 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -129.33 119.75 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -70.88 132.47 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -39.11 141.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.41 20.24 72.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -118.56 171.03 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.2 tm? -88.0 128.45 35.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 t -120.87 120.55 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -126.01 152.86 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.0 mtt -134.89 154.36 51.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -132.27 132.26 42.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -160.15 133.9 7.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.685 ' CD ' HD12 ' A' ' 13' ' ' LEU . 30.0 ttmt -118.17 132.75 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.65 134.96 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -104.78 146.18 29.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 160.95 13.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.2 tp -150.68 124.17 4.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.77 178.69 24.59 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.355 -0.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -42.46 123.99 2.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.96 103.88 15.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.797 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.3 pt? -106.66 157.37 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.22 129.98 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -76.91 146.51 37.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -142.4 127.12 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -119.73 117.59 28.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 63.35 46.8 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.69 34.04 80.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -147.12 150.05 37.13 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 116.68 4.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.78 127.84 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -110.01 149.23 39.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.06 62.19 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.46 179.79 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.5 p -45.76 -23.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.71 -48.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.472 ' CD2' HG12 ' A' ' 70' ' ' ILE . 59.6 m80 -80.01 118.16 21.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.59 111.04 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -94.64 143.97 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.2 mp -115.87 142.63 46.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.33 94.72 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -84.7 120.25 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -44.1 -50.76 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -41.14 -35.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.31 55.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -144.15 126.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.594 ' NE2' HD21 ' A' ' 41' ' ' LEU . 4.8 m-70 -108.19 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.7 m -157.47 132.91 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.4 tp -108.64 115.6 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 59' ' ' LEU . 34.7 mt -111.0 137.22 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG12 ' CD2' ' A' ' 56' ' ' HIS . 15.1 mt -137.02 122.25 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.2 tm-20 -165.78 123.82 1.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.76 175.37 36.82 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.327 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.89 132.53 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 76' ' ' ARG . 37.7 p -104.98 172.76 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -69.54 -21.65 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 74' ' ' THR . 3.8 ptp180 -74.2 -26.35 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -35.18 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -67.11 111.49 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.59 -160.18 23.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.54 99.18 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' HE1' HD23 ' A' ' 98' ' ' LEU . 77.6 m-85 -76.73 131.84 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.1 m -130.56 120.78 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.8 t -113.72 144.89 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.47 102.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 105.23 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB3' ' A' ' 91' ' ' GLN . 21.1 m -107.92 111.09 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -111.6 162.32 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -41.16 -41.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.63 -146.53 4.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB3' HG23 ' A' ' 86' ' ' THR . 1.8 pt20 -162.97 148.82 12.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -141.66 174.14 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -145.29 153.23 41.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.89 135.22 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -111.75 168.35 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -158.16 161.24 37.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -114.94 133.08 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD23 ' HE1' ' A' ' 81' ' ' TYR . 22.3 tp -134.1 121.68 21.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.63 144.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 53.9 t -131.32 115.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.75 118.42 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.54 162.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.2 OUTLIER -78.62 148.58 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 3.5 mt-10 -144.49 154.87 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 160.55 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.01 -179.67 32.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.22 35.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -143.89 149.87 37.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -42.28 126.12 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -169.92 158.42 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -114.78 -176.36 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.39 149.69 21.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -160.58 179.45 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -52.49 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.32 -164.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.3 123.66 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 34.2 ttm180 -50.68 139.29 21.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.74 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CD2' HD23 ' A' ' 13' ' ' LEU . 4.3 t60 -146.08 126.81 14.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.06 106.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' HD2' ' A' ' 32' ' ' LYS . 79.9 mt -69.39 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -133.83 114.44 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.93 146.59 61.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.05 5.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.17 -135.12 3.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -74.11 105.58 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.83 157.09 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -130.37 130.84 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.92 128.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.0 154.82 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.16 146.12 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.56 30.9 73.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.78 171.23 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.5 tm? -84.05 133.87 34.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.4 t -130.18 104.6 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -107.69 146.62 31.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -143.43 122.23 12.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.88 131.11 57.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -133.43 135.37 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' HD12 ' A' ' 13' ' ' LEU . 8.5 tmtt? -102.97 128.47 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.26 133.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -104.77 151.2 24.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.01 142.84 3.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.0 tp -131.21 124.14 20.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 -172.73 7.74 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.3 p -48.65 123.39 11.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.711 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.46 12.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.78 120.51 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.09 152.9 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -132.62 134.73 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -83.36 140.26 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.11 126.8 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD13 ' CE1' ' A' ' 81' ' ' TYR . 49.1 tp -118.7 121.57 40.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 t70 53.43 50.07 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.02 37.48 85.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -145.56 144.66 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.7 p -96.93 102.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -104.5 146.86 33.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.9 2.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.7 -65.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 p -134.99 -57.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.97 -41.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -77.95 120.53 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -120.14 106.15 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtm -109.45 129.88 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -118.14 157.54 26.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.24 106.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.66 -178.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.61 -23.32 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -98.41 16.62 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.1 -30.63 6.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.7 t -41.97 149.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.58 161.35 30.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 m -143.93 116.18 8.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.52 106.34 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.2 mt -109.55 119.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' A' ' 77' ' ' ASP . 26.2 mt -111.47 124.18 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.6 tm-20 -164.09 124.38 1.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.1 Cg_endo -69.77 -168.94 4.73 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.349 0.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -124.22 139.05 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -123.87 166.2 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 m -55.92 -17.15 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -74.69 -36.97 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CG ' HG21 ' A' ' 70' ' ' ILE . 39.3 m-20 -57.81 -29.98 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -76.53 124.99 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.58 -157.18 29.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.18 95.61 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.676 ' CE1' HD13 ' A' ' 45' ' ' LEU . 41.3 m-85 -75.14 109.01 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 m -96.53 133.9 40.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.2 t -132.35 146.67 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.09 114.23 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.74 110.79 23.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -106.91 115.17 29.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 41.4 t30 -119.86 153.85 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -41.03 -24.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . -78.92 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.34 -144.59 3.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HB2' HG23 ' A' ' 86' ' ' THR . 27.8 tt0 -147.96 147.82 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -141.04 166.87 23.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.7 p -153.86 155.95 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.2 139.05 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -110.85 152.29 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -149.8 154.59 38.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.424 ' N ' HD12 ' A' ' 96' ' ' LEU . 20.5 tt0 -113.63 133.49 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.8 tp -127.34 123.26 35.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.92 142.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 51.9 t -136.15 121.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.97 122.2 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' LYS . . . -72.61 152.77 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ALA . 43.0 pttt -37.42 -37.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -144.18 121.93 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.0 m -145.42 140.85 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.06 76.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -71.75 123.45 22.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.5 p -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -51.33 172.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -83.93 -50.04 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.91 -106.24 2.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -75.74 120.58 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -41.15 111.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.97 152.88 19.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -134.32 144.67 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.5 ttm180 -49.22 139.55 13.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.8 114.2 3.63 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -137.92 134.83 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -82.05 112.24 18.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.9 mt -71.46 -44.87 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.13 115.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 144.36 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.14 -127.8 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -88.19 109.79 20.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -105.21 156.67 17.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -132.91 115.84 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 62.4 t -137.32 135.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' GLU . 36.0 tt0 -79.25 128.78 33.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' GLN . 14.6 tt0 -36.51 134.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 33.28 40.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 18.9 mmtp -126.41 173.77 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.6 tm? -82.9 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.713 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.9 t -126.06 132.58 51.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -137.14 125.1 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.9 mtm -127.33 117.64 22.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.94 148.41 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -154.67 128.56 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' HG22 ' A' ' 65' ' ' VAL . 54.4 mtpt -100.99 152.33 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.21 131.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 p -101.86 131.54 48.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 36' ' ' LEU . . . 171.74 148.84 6.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 35' ' ' GLY . 3.7 mm? -136.91 124.8 14.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -171.96 7.11 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.613 -1.828 . . . . 0.0 112.356 -0.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -52.05 122.23 22.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.705 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 125.12 11.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.258 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.12 120.51 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -120.75 148.05 44.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 m -127.95 136.48 51.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.653 ' O ' HG12 ' A' ' 50' ' ' VAL . 95.9 m95 -85.16 130.89 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -128.21 124.38 36.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.4 tp -113.85 116.17 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 60.1 40.8 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.56 88.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -151.29 144.75 17.32 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.9 p -80.74 128.04 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.5 144.17 28.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.37 57.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.42 -177.06 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.5 p -50.62 -30.13 12.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.21 -46.94 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -85.72 104.83 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -107.89 114.7 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.8 mtt -99.16 139.54 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -117.19 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 66' ' ' HIS . 91.5 t -130.41 96.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -69.34 167.51 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.87 -8.53 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.33 35.04 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 62.04 68.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' HG2' ' A' ' 32' ' ' LYS . 25.3 t -156.81 143.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 60' ' ' VAL . 4.0 m80 -134.4 156.37 48.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -148.38 142.49 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.2 tp -119.86 97.8 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 27' ' ' CYS . 70.7 mt -99.65 119.82 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.87 116.57 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 1.3 tm-20 -157.43 122.98 2.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 174.75 39.37 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.303 0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG13 ' OD2' ' A' ' 77' ' ' ASP . 19.0 t -105.86 140.08 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 p -122.67 154.43 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.4 t -44.58 -41.25 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -53.36 -36.54 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.689 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -51.69 -28.66 15.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -71.69 135.03 46.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.22 -170.22 34.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -100.14 101.0 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -79.39 112.48 16.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.0 m -112.56 102.64 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.89 136.05 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -119.51 119.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.11 115.1 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.4 m -111.14 111.75 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -115.87 156.51 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -43.48 -26.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.91 -59.2 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -151.65 6.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.9 tt0 -143.85 145.4 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.25 162.24 36.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 p -149.36 162.39 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.434 ' HE2' HD23 ' A' ' 96' ' ' LEU . 3.5 p90 -155.08 139.67 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.7 p -109.56 146.8 34.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.8 pp -145.07 162.14 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 96' ' ' LEU . 26.0 tt0 -119.92 142.77 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.64 110.59 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.7 t -88.45 139.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.689 HG21 ' OD1' ' A' ' 77' ' ' ASP . 88.3 t -134.92 124.63 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 121.78 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.27 149.29 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -46.47 152.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.16 140.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.3 p -76.19 170.42 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.74 -177.91 51.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 136.6 33.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -45.62 156.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 m -70.53 115.76 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -137.72 174.57 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -108.43 163.54 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.24 -73.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 41.07 40.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -103.91 133.94 48.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.62 134.48 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.16 150.0 50.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 27.8 ttt180 -61.85 139.53 95.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.2 Cg_endo -69.75 134.13 27.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.297 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -159.27 141.9 14.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -80.63 105.53 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.82 -40.92 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -148.87 115.06 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.65 145.42 33.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.47 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.29 -117.81 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.39 110.85 23.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.01 161.89 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -127.9 124.69 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.53 122.16 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -65.4 140.68 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.74 126.71 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 15.91 52.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -111.07 173.06 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.3 tm? -83.35 128.65 34.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.403 ' N ' HD13 ' A' ' 26' ' ' LEU . 2.0 t -120.46 129.66 53.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -133.42 138.83 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 mtm -135.08 120.09 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.56 132.49 51.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -147.58 127.72 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -113.24 137.59 51.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.27 143.95 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -111.65 151.71 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.12 143.13 3.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 37' ' ' PRO . 10.6 tp -128.17 124.8 23.19 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.68 -164.29 2.49 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.371 -0.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -61.99 121.11 63.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.79 6.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.66 121.51 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -118.4 160.05 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -138.08 130.35 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' C ' HG12 ' A' ' 50' ' ' VAL . 93.8 m95 -83.6 144.9 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -142.79 126.01 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 81' ' ' TYR . 39.5 tp -110.41 112.25 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 65.49 42.67 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.4 70.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -123.87 149.74 60.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.06 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.7 p -76.11 114.42 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -98.79 144.07 27.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 131.32 21.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' HIS . 5.3 m-20 -131.99 179.04 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -39.3 -38.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.16 -55.99 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.2 m80 -77.1 108.48 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -116.56 131.37 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mtt -107.76 121.49 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.0 mt -96.7 149.75 21.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.639 HG22 ' CE1' ' A' ' 66' ' ' HIS . 71.5 t -135.01 132.78 53.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLU . 33.5 mtp85 -127.14 114.49 17.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.1 mp0 -35.74 -56.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.0 m120 -35.19 -46.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.36 41.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.07 116.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.639 ' CE1' HG22 ' A' ' 60' ' ' VAL . 5.5 m-70 -108.55 150.96 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 m -140.5 153.04 46.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -132.99 103.05 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -105.45 144.04 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.86 125.17 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.2 tm-20 -164.54 124.01 1.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.78 -172.28 7.37 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.349 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.01 141.22 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -123.42 177.61 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.1 m -67.53 -20.81 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -66.43 -26.37 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.65 ' OD2' HD21 ' A' ' 98' ' ' LEU . 3.4 t70 -70.33 -14.91 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 119.79 20.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.93 -174.34 40.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' LEU . 11.4 mm -100.5 112.15 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.694 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 77.6 m-85 -83.17 119.91 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 84' ' ' ILE . 88.2 m -109.86 113.21 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.9 t -113.75 141.68 46.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 82' ' ' THR . 5.0 mp -133.18 116.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.84 112.9 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.2 m -114.38 112.54 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 7.3 p-10 -119.84 -176.0 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -55.0 -43.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.74 -66.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.74 -125.83 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.735 ' HB2' HG23 ' A' ' 86' ' ' THR . 6.3 tt0 -157.76 149.84 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 6.5 t30 -143.28 162.33 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.6 p -153.62 167.45 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -164.38 141.47 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -109.41 153.27 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 pp -150.73 160.21 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 5.1 tp10 -117.56 146.54 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD21 ' OD2' ' A' ' 77' ' ' ASP . 58.6 tp -140.93 114.74 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.08 144.2 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.11 120.24 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.89 118.77 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.3 145.9 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -51.73 -58.0 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -114.31 80.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.5 t -59.92 135.64 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 123.52 -174.74 16.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 120.55 7.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t -160.16 117.17 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.8 t -110.84 133.34 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -135.73 151.64 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -90.9 38.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.36 -86.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -61.14 133.29 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -51.6 130.86 29.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 155.41 7.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.98 148.91 52.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.5 ttp180 -51.7 139.3 30.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.74 108.77 2.15 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.7 130.01 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -78.88 105.47 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.32 -42.19 86.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -143.17 115.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.32 144.05 34.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.85 -113.89 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.601 ' C ' HD12 ' A' ' 19' ' ' LEU . 6.8 t0 -105.22 133.98 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 18' ' ' ASP . 8.6 mp -133.53 167.71 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -136.16 117.9 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.37 129.15 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -67.84 160.58 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.82 138.28 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.25 32.76 55.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -124.7 171.61 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.5 tm? -84.0 127.7 34.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' N ' HD22 ' A' ' 26' ' ' LEU . 1.4 t -125.88 125.34 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -123.8 148.51 46.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 mtm -148.62 116.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.85 147.61 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.53 132.56 19.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.39 136.73 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 33' ' ' VAL . 7.7 p -145.48 126.54 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -91.03 170.8 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 134.6 150.91 6.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.3 mp -140.6 128.5 12.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.71 -172.74 7.72 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.33 -0.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 m -55.84 121.67 41.53 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.68 13.6 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.92 109.78 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' CD2' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -108.4 149.52 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 m -118.75 136.39 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 96.6 m95 -82.98 142.24 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -136.33 125.4 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.2 tp -110.84 121.21 44.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.66 52.2 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.34 37.98 84.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.06 150.32 41.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.36 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.1 p -81.25 122.59 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -108.32 148.48 37.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.53 19.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -138.85 -179.81 6.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -45.64 -24.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.67 -50.63 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -82.76 116.17 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 59' ' ' LEU . 24.7 tttm -123.06 111.94 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.44 ' C ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.59 154.25 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.8 mp -130.72 150.94 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.98 125.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -115.15 140.04 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' ASN . 7.4 mm-40 -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' GLU . 31.8 m120 -35.99 -43.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.24 61.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -139.79 110.21 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.611 ' CD2' HD21 ' A' ' 41' ' ' LEU . 18.8 m-70 -95.26 154.97 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -152.58 137.74 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 tp -108.14 111.31 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HD13 ' A' ' 59' ' ' LEU . 50.4 mt -104.33 108.48 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.2 mt -104.9 126.02 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.2 tm-20 -172.86 124.34 0.46 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.82 -174.9 10.15 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.323 0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 74' ' ' THR . 21.2 t -118.43 154.83 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 76.0 p -135.26 -177.91 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.423 ' HA ' HG11 ' A' ' 100' ' ' VAL . 4.7 t -76.44 -21.24 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -78.96 -27.52 43.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.81 -31.07 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -68.13 131.17 44.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.21 -159.98 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -109.84 93.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 45' ' ' LEU . 87.3 m-85 -74.81 107.89 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 m -108.81 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.424 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 4.5 m -116.21 153.3 32.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.74 105.2 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.73 105.75 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.5 m -111.66 111.38 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.14 -175.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -56.14 -40.5 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.82 -63.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.01 -129.06 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 86' ' ' THR . 34.6 tt0 -156.02 147.21 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -134.52 168.86 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -153.96 160.66 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 p90 -170.38 134.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m -111.25 158.81 18.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 97' ' ' GLU . 0.8 OUTLIER -150.06 154.83 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' HD12 ' A' ' 96' ' ' LEU . 17.3 tt0 -108.99 151.7 25.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 tp -144.14 120.07 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.26 142.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' A' ' 78' ' ' ALA . 3.1 p -133.9 130.51 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.56 123.35 39.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.41 144.81 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -44.5 -40.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 25.3 mt-10 -107.99 120.87 43.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 t -71.26 150.63 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.2 -156.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.7 41.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -63.08 156.24 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -110.66 155.84 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -122.13 138.09 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -168.99 138.77 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -88.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -119.36 115.24 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -115.78 86.55 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 172.2 43.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -135.69 134.87 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 21.7 ttm180 -47.68 139.54 8.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.76 106.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.32 133.24 43.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -87.4 108.13 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.15 -45.75 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -127.04 118.34 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.05 144.15 47.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -179.7 3.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.6 -134.84 2.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.1 p30 -81.42 123.64 28.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 18' ' ' ASP . 7.0 mp -131.34 153.72 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -127.98 112.52 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.8 131.44 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -67.21 155.54 38.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -66.24 134.1 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.96 15.39 67.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -107.78 172.07 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.0 tm? -84.41 128.7 34.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.7 t -119.36 116.63 26.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -114.7 142.28 46.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 mtt -138.7 135.2 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -124.24 136.02 53.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.6 127.38 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.51 129.52 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.12 130.97 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -94.1 134.86 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 166.96 28.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 37' ' ' PRO . 20.0 tp -155.76 128.14 4.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.642 ' HA ' HD12 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.73 177.2 29.59 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.38 -0.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -48.44 120.23 8.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.2 Cg_endo -69.81 134.42 27.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -98.63 100.57 11.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -97.88 160.58 14.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -132.41 128.74 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 76.5 m95 -74.21 142.4 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -145.38 124.61 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -116.53 125.61 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.45 40.09 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.78 34.36 88.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -142.69 144.25 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.1 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 43' ' ' TRP . 5.2 p -78.32 128.09 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -110.05 148.62 38.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.741 2.294 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -123.94 179.3 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -45.94 -28.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.17 -53.61 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 70' ' ' ILE . 33.6 m80 -81.2 116.7 21.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -115.53 112.6 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.32 128.74 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -113.85 136.24 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.54 104.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 20.1 mmm-85 -81.52 155.01 25.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.2 -14.28 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -91.05 -1.29 57.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.89 -0.05 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 17.9 t -75.37 102.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -93.75 143.17 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -144.92 143.08 30.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.31 107.3 12.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -106.03 115.18 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 56' ' ' HIS . 11.7 mt -108.49 115.93 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 14.9 tm-20 -156.74 123.13 2.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.646 0.736 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.3 Cg_endo -69.74 -171.36 6.56 Favored 'Cis proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.354 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.61 150.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 p -132.82 158.45 42.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 m -52.78 -27.52 18.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 21.6 ttm105 -64.75 -33.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -63.63 -24.65 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.857 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.14 112.87 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.45 -156.19 14.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.501 HD11 ' OE1' ' A' ' 97' ' ' GLU . 43.0 mm -110.46 98.39 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.545 ' HE1' HD23 ' A' ' 98' ' ' LEU . 66.3 m-85 -74.25 125.83 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -127.85 132.25 49.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -123.02 149.57 44.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -131.45 101.71 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -89.52 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.953 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.3 m -108.91 117.09 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -119.28 -174.95 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -63.27 -34.35 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.67 -61.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.0 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.953 ' HB2' HG23 ' A' ' 86' ' ' THR . 9.4 tt0 -156.63 144.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -145.88 145.99 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 158.8 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.5 p90 -152.0 139.11 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.6 p -111.26 149.35 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 pp -138.98 161.97 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.601 ' N ' HD12 ' A' ' 96' ' ' LEU . 13.9 tp10 -109.28 144.83 36.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HE1' ' A' ' 81' ' ' TYR . 36.9 tp -143.6 106.6 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.33 140.27 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.857 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 77.8 t -124.4 124.6 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.39 125.49 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.35 155.43 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -89.93 -53.96 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -170.31 143.27 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 p -110.83 156.8 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.31 147.13 16.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -10.32 28.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.2 m -101.26 130.87 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -129.91 160.21 34.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.44 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 60.0 43.07 15.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -87.85 -62.33 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 94.15 -48.04 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.4 p -35.93 132.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -153.71 133.54 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.74 155.42 12.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.11 133.55 49.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 30.0 ttm180 -57.24 140.32 78.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.76 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -142.58 129.4 20.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -75.32 105.72 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.29 -47.96 77.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.53 115.54 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.87 -135.58 3.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.79 107.9 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.0 159.91 16.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.24 121.6 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.6 t -136.39 148.65 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.19 153.88 22.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.15 124.17 20.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.42 7.95 58.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -103.86 173.89 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 27' ' ' CYS . 2.1 tm? -87.59 126.55 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 26' ' ' LEU . 26.0 t -125.99 101.88 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -105.24 154.93 19.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 mtm -138.98 146.21 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.42 132.67 51.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -148.03 127.66 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HG3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -117.82 134.16 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.62 127.32 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -88.87 158.38 18.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.08 149.18 5.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 6.6 tp -137.8 124.04 13.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.0 Cg_endo -69.77 -171.01 6.27 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.304 -0.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.2 m -47.95 122.24 9.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.55 0.691 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.71 116.03 27.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.822 HD12 ' SG ' ' A' ' 83' ' ' CYS . 1.8 pt? -120.23 160.98 21.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -134.95 138.79 44.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 96.8 m95 -81.8 136.48 35.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.46 HE21 HD13 ' A' ' 84' ' ' ILE . 25.4 mt-30 -131.66 143.36 50.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 48' ' ' LYS . 23.5 tp -130.46 112.44 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 53.68 31.73 13.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 46.21 6.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 45' ' ' LEU . 8.2 pttp -156.41 141.94 12.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' TRP . 3.6 p -68.49 137.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 153.1 53.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -118.54 174.4 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.6 m -39.42 -39.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.66 -55.53 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -78.65 111.55 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.56 124.82 52.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 mtt -104.7 147.16 27.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.04 153.45 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -140.03 119.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.25 156.05 24.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -63.43 -7.9 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -98.64 -38.68 9.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.34 -36.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.618 HG22 ' HG3' ' A' ' 32' ' ' LYS . 79.1 t -40.36 124.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.2 m-70 -101.46 155.32 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -151.63 131.41 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -110.78 113.39 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.3 mt -110.09 118.86 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' ASP . 16.4 mt -105.45 121.75 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.3 tm-20 -163.08 123.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 54.2 Cg_endo -69.79 -174.11 9.23 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 ' OD2' ' A' ' 77' ' ' ASP . 24.0 t -119.31 131.24 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -132.44 168.84 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' N ' ' OG1' ' A' ' 74' ' ' THR . 24.6 p -54.87 -15.9 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -73.23 -36.32 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.675 ' OD1' HG21 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -69.88 -17.42 63.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -75.43 116.3 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.49 -172.21 45.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -93.54 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -85.33 111.94 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.1 m -114.69 145.85 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.822 ' SG ' HD12 ' A' ' 41' ' ' LEU . 1.9 t -133.87 154.95 50.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.3 mp -135.0 103.22 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.67 110.26 20.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 91' ' ' GLN . 1.6 m -110.17 114.67 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.2 163.04 16.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -48.91 -21.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.33 -60.48 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.16 -146.56 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.789 ' HB2' HG23 ' A' ' 86' ' ' THR . 12.3 tt0 -153.31 146.58 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -148.17 165.27 31.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 t -152.74 164.04 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -152.91 154.58 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.3 p -114.5 163.52 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -160.06 159.27 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' N ' HD12 ' A' ' 96' ' ' LEU . 25.5 tt0 -124.69 135.6 53.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.49 111.26 16.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.76 129.37 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.675 HG21 ' OD1' ' A' ' 77' ' ' ASP . 50.6 t -127.07 130.48 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.09 116.61 32.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 139.2 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -71.25 -47.84 54.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -141.07 166.83 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 m -122.93 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.22 -176.66 38.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -143.78 161.72 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 t -106.31 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -80.31 -46.9 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 53.31 41.91 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.57 145.38 18.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.78 155.11 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -76.44 130.76 38.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 146.44 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 1.9 m-85 -137.91 162.52 33.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 22.1 ttt180 -76.51 139.55 67.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.7 124.1 10.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -149.78 118.64 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -67.04 106.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.3 mt -67.43 -40.42 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -125.03 114.72 19.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.15 144.24 33.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.599 2.2 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.0 -163.52 10.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.6 108.99 5.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.31 163.56 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.9 m -132.13 112.42 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.27 132.1 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -71.68 156.8 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.97 133.35 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.55 17.18 64.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -112.54 173.5 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -82.82 129.12 34.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.4 t -124.27 118.68 27.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -113.89 158.67 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mtm -150.56 141.72 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -137.22 138.56 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 p -155.67 133.28 11.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -106.25 138.44 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.7 128.41 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -93.73 169.03 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.16 142.17 4.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 11.2 tp -134.52 124.52 17.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.71 -177.92 15.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.334 -0.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -45.57 124.36 6.05 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.627 0.727 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.48 ' O ' HD23 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.377 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.08 106.47 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -106.76 150.58 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -122.75 152.95 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.723 ' O ' HG12 ' A' ' 50' ' ' VAL . 91.2 m95 -104.03 121.67 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -119.21 134.53 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.12 115.16 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.51 27.88 7.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.76 41.74 8.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -150.39 140.55 14.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.27 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 43' ' ' TRP . 1.4 p -68.22 119.53 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -101.62 148.34 35.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.49 14.59 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.58 176.05 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.6 p -43.92 -24.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.81 -55.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.92 120.76 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 117.87 23.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.52 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.3 mpt? -96.39 153.9 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 58' ' ' MET . 5.1 mp -150.17 129.26 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.5 p -132.31 120.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -72.11 -175.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.27 10.78 35.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -112.97 -22.33 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.44 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -152.68 127.6 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -110.8 143.61 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -137.3 131.63 32.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -109.01 94.45 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.455 HD12 HD11 ' A' ' 59' ' ' LEU . 71.1 mt -89.49 114.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.414 HD13 ' OD2' ' A' ' 77' ' ' ASP . 10.5 mt -112.11 121.07 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 6.2 tm-20 -167.13 123.65 0.93 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.4 Cg_endo -69.8 -172.8 7.83 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.306 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 t -121.62 132.07 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.7 p -112.17 163.26 14.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 m -56.86 -25.44 56.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 12.7 mtp-105 -65.2 -32.95 74.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -59.56 -19.24 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 115.6 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.87 -171.63 43.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -99.7 111.23 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.03 114.61 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -100.96 108.12 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 51.4 t -97.93 138.29 35.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.8 103.26 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -95.44 109.64 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 91' ' ' GLN . 1.3 m -108.26 115.34 29.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 88' ' ' ARG . 32.5 t30 -115.69 153.92 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 91.1 mtt-85 -39.21 -33.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 8' ' ' PHE . . . -72.94 -60.89 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.24 -143.34 3.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.952 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -162.46 149.92 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.22 172.68 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -149.44 153.94 38.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -163.22 136.05 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.5 p -115.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.714 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.1 pp -142.3 152.38 42.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -100.85 141.96 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' OD1' ' A' ' 77' ' ' ASP . 59.1 tp -138.66 115.12 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.14 146.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -132.76 114.91 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.62 119.52 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 158.18 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -83.34 149.86 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.53 150.41 24.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t -133.91 119.77 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 153.39 172.15 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.26 30.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -45.05 123.52 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -117.08 -50.39 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -160.97 152.39 19.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -103.48 135.97 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 94.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -127.38 45.91 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -53.02 146.11 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 168.14 8.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.77 142.1 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 ttm-85 -60.28 139.32 91.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.533 0.682 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -126.87 124.43 39.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.2 110.94 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -38.49 82.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -144.12 123.71 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.55 144.52 51.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 -177.15 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.06 -133.87 2.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.24 102.41 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -105.85 157.83 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -132.15 120.59 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.1 t -140.79 129.43 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -67.34 162.97 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 22' ' ' GLN . 11.0 tm-20 -69.85 128.27 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.64 63.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.62 172.12 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.3 tm? -85.31 128.6 34.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.612 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t -123.55 102.91 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -102.56 152.09 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtt -138.88 116.72 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.45 116.28 31.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -130.83 129.33 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -114.55 146.92 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 33' ' ' VAL . 10.0 p -144.02 125.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 p -96.51 130.69 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.25 155.25 10.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.6 tt -141.83 134.3 13.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.545 0.688 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.81 -164.75 2.68 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.345 -0.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.2 m -55.55 112.12 3.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.66 5.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 125.13 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.77 151.53 46.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -124.67 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.449 ' C ' HG12 ' A' ' 50' ' ' VAL . 97.2 m95 -90.84 142.54 27.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -143.16 124.71 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 81' ' ' TYR . 55.0 tp -111.94 122.79 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t0 62.78 32.2 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.77 18.8 79.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.11 152.87 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -77.95 120.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.53 148.73 36.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.9 34.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -137.19 -179.55 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 t -49.4 -25.89 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.85 -54.93 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.19 121.73 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -128.45 120.86 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -102.5 138.79 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.6 mt -112.92 147.9 36.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.4 t -129.89 99.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.1 mtt-85 -86.2 114.75 23.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -35.37 -54.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLU . 2.5 t-20 -37.26 -55.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.6 42.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.18 113.55 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -96.62 152.07 19.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -146.32 131.1 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 tp -109.66 94.21 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HD11 ' A' ' 59' ' ' LEU . 59.0 mt -90.4 127.23 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.38 122.31 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -165.86 124.52 1.13 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.735 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.8 Cg_endo -69.7 -170.81 6.08 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.333 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.78 135.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -120.82 168.53 11.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 t -61.63 -20.0 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -72.79 -24.49 60.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -72.28 -23.66 61.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -68.51 124.58 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 157.21 -174.33 34.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -92.16 129.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.776 ' CE2' HD13 ' A' ' 45' ' ' LEU . 80.0 m-85 -101.95 118.91 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.7 m -101.65 132.61 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.178 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.72 145.21 49.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.12 117.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 110.78 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.888 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.1 m -111.54 115.13 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 3.2 p-10 -120.09 -175.04 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -57.21 -40.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -61.46 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.63 -126.95 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.888 ' HB2' HG23 ' A' ' 86' ' ' THR . 19.2 tt0 -161.76 145.39 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 17.2 t30 -141.32 170.0 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -154.08 161.38 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -157.24 133.62 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -113.04 151.13 31.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' HG2' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -147.31 157.31 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 96' ' ' LEU . 45.6 tt0 -104.9 148.5 26.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.467 HD23 ' HE1' ' A' ' 81' ' ' TYR . 28.7 tp -141.92 117.45 10.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -98.06 144.37 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 40.2 t -136.39 117.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.29 139.4 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.07 171.66 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -93.38 167.41 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 105' ' ' SER . 14.7 pt-20 -39.58 -49.52 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 89.0 p -164.85 123.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.28 152.02 7.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.9 Cg_endo -69.78 -33.99 15.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' PRO . 23.2 t -34.57 106.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.4 t -114.58 150.26 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -87.75 130.29 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 52.37 44.34 29.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.71 59.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -105.1 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -47.61 -35.79 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.07 148.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.41 152.92 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 ttm105 -74.98 139.3 73.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.76 103.05 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -134.39 134.61 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -80.66 111.87 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.13 -43.83 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -124.83 114.95 19.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.83 145.64 43.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -176.72 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.38 -149.77 5.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.23 103.56 10.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -104.06 157.54 17.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 m -127.9 120.7 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 32.7 t -139.7 123.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -64.4 149.29 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.9 143.8 24.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.05 29.71 56.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.3 mmtt -128.26 170.58 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -88.13 128.19 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' N ' HD22 ' A' ' 26' ' ' LEU . 9.4 t -118.74 101.53 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -97.62 148.72 23.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 mtm -147.22 135.58 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.05 133.78 55.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 p -144.03 133.03 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HG2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -120.53 139.04 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.0 126.44 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -90.39 139.42 30.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.53 146.67 5.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.0 tt -136.27 123.96 14.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.76 -168.98 4.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 -0.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.5 m -54.37 122.07 35.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.64 21.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.91 119.81 26.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.2 pt? -124.37 146.26 48.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -127.51 141.15 51.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' O ' HG12 ' A' ' 50' ' ' VAL . 89.4 m95 -86.68 134.17 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.35 124.7 39.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.3 tp -115.68 109.37 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 64.5 38.7 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.2 64.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -148.54 144.02 18.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.57 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 43' ' ' TRP . 4.3 p -68.21 132.75 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -112.52 143.94 29.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.63 57.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' SER . 2.7 p-10 -150.0 174.54 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.7 m -34.88 -39.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.96 -51.63 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -79.96 111.65 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -118.33 114.48 23.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -94.48 125.77 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.54 147.31 27.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.62 100.16 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.14 172.2 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.16 179.15 7.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 58.79 28.15 16.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.93 39.47 96.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' A' ' 32' ' ' LYS . 55.2 t -108.07 124.45 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -125.06 167.82 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.0 m -158.56 146.36 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 53.9 tp -121.93 101.24 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 26' ' ' LEU . 53.8 mt -97.35 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -129.28 120.15 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 26' ' ' LEU . 27.8 tt0 -165.55 122.57 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.9 Cg_endo -69.8 -174.52 9.7 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.366 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' LYS . 21.3 t -121.8 144.03 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -118.88 156.54 29.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -54.77 -21.61 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -68.92 -42.55 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -53.56 -18.01 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . . . -76.39 113.97 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.48 -151.32 10.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.96 115.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -91.05 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -113.15 95.86 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.47 153.17 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.3 104.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.23 104.97 17.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' ' 91' ' ' GLN . 10.2 m -106.67 116.23 31.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' PRO . 44.7 t30 -111.35 -177.1 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -63.47 -31.58 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.83 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.2 -144.59 3.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.913 ' HB3' HG23 ' A' ' 86' ' ' THR . 6.5 pt20 -162.76 148.67 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -144.67 164.44 30.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.5 t -144.23 162.37 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -156.26 136.94 13.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 m -109.07 145.14 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 94' ' ' PHE . 3.0 pp -137.05 159.59 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -110.42 135.7 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.3 tp -133.23 108.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.33 136.11 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.509 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 42.4 t -129.27 117.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.56 118.21 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.49 147.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -87.94 135.58 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.96 138.28 58.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -86.78 97.72 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.5 83.07 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -13.47 34.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.52 120.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -49.4 151.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -140.71 164.65 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -157.79 168.85 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.86 55.72 0.45 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.11 146.88 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -53.93 178.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 36' ' ' LEU . . . 61.57 173.34 1.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -122.32 120.49 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 ttm105 -39.88 139.29 0.97 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.81 102.52 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -130.7 134.96 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 79.5 m-85 -85.03 105.5 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.7 mp -63.91 -47.26 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -123.87 113.85 19.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.28 142.36 41.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.72 -111.64 1.01 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.44 133.02 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -129.37 161.84 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -136.39 111.22 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 78.7 t -126.64 137.75 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 38.0 tt0 -79.62 127.8 32.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLN . 9.4 tm-20 -35.67 138.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 32.16 55.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 25.4 mmtm -127.18 173.75 9.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.0 tm? -85.54 131.58 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.659 ' N ' HD13 ' A' ' 26' ' ' LEU . 4.5 t -129.18 107.35 9.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -112.26 146.02 38.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.4 mtm -143.18 137.18 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.26 141.95 49.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -143.87 137.39 27.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -117.6 121.15 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 7.5 p -129.07 126.02 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.0 t -93.33 147.33 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.46 156.97 11.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 7' ' ' GLY . 5.3 tp -144.88 124.07 6.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 88' ' ' ARG . 54.0 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.377 -0.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -45.13 119.71 4.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.07 14.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -99.34 105.75 17.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -105.82 154.13 20.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -122.85 136.76 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CE3' ' SG ' ' A' ' 83' ' ' CYS . 77.6 m95 -85.63 130.83 34.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -124.49 124.59 42.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.26 111.85 23.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.69 43.79 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.93 39.62 93.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.79 145.45 21.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 109.5 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.5 p -91.86 116.83 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 152.62 54.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.04 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -132.99 -58.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.46 -39.31 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -78.49 127.75 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -128.42 106.58 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.15 122.33 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.34 143.42 32.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.25 101.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 7.5 mmm180 -81.14 162.32 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASN . 15.6 mt-10 -75.47 -68.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 56.2 m-20 -36.83 -51.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.53 75.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 13.2 t -154.61 119.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -104.49 138.29 41.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -128.27 141.36 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -119.36 97.28 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.2 mt -97.62 122.68 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.965 HD13 ' OD1' ' A' ' 77' ' ' ASP . 8.7 mt -117.31 118.73 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 8.6 tm-20 -166.35 124.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.5 Cg_endo -69.74 179.92 20.93 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.301 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.27 150.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.7 p -130.0 153.77 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.8 p -41.2 -32.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -59.17 -45.9 89.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.965 ' OD1' HD13 ' A' ' 70' ' ' ILE . 4.1 t70 -42.46 -30.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -70.31 111.75 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.43 -158.6 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mm -110.25 103.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -80.57 120.54 24.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -120.27 124.92 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.582 ' SG ' ' CE3' ' A' ' 43' ' ' TRP . 2.5 m -116.82 139.97 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.74 105.74 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -90.93 112.62 24.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.854 HG23 ' HB2' ' A' ' 91' ' ' GLN . 2.3 m -114.13 112.76 23.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 4.3 p-10 -119.15 -175.91 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CB ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttm180 -55.77 -40.94 73.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . -60.66 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.64 -128.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.854 ' HB2' HG23 ' A' ' 86' ' ' THR . 18.8 tt0 -162.91 149.38 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 91' ' ' GLN . 3.2 m120 -140.83 170.95 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.3 p -148.95 157.8 43.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 83' ' ' CYS . 1.4 p90 -161.28 134.18 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.8 p -110.91 163.78 13.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 96' ' ' LEU . 3.1 pp -155.73 161.19 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -112.23 144.83 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' OD2' ' A' ' 77' ' ' ASP . 36.9 tp -137.81 108.23 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.28 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 93.1 t -131.73 119.68 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.67 121.56 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.61 152.52 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -53.74 -29.36 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 143.91 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.2 t -79.93 123.65 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.26 148.57 18.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.02 19.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m 43.89 41.29 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 t 66.77 39.89 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -85.97 -49.39 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -100.58 141.77 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 56.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -49.28 162.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -101.17 168.74 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 36' ' ' LEU . . . -81.24 154.55 35.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -118.86 138.02 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.3 ttt180 -46.81 139.26 6.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.73 113.12 3.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.2 t60 -137.7 134.83 35.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -86.84 107.99 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.73 -45.21 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -127.37 127.26 43.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.12 144.31 52.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HG2' HD22 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 178.29 4.72 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.88 -131.96 2.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.53 102.8 14.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 mt -108.7 158.08 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -134.99 124.04 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.97 127.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.17 139.27 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -49.78 135.25 19.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.59 28.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -127.81 172.28 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 27' ' ' CYS . 3.2 tm? -83.31 133.11 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.8 t -127.89 130.37 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -138.7 137.16 36.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.2 mtt -119.29 128.7 54.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -109.98 127.45 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -152.84 127.96 9.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -110.03 148.9 30.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.78 126.98 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 p -94.97 123.07 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.3 160.6 26.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 7.7 tt -150.17 126.98 5.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.83 -164.53 2.61 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.321 -0.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 m -55.87 117.4 15.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.4 Cg_endo -69.74 121.96 8.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 146.59 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -121.03 145.05 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' O ' HG12 ' A' ' 50' ' ' VAL . 98.8 m95 -97.74 131.19 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -128.15 124.11 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.9 tp -112.19 113.27 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.17 39.5 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.39 41.36 78.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -151.89 149.56 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 110.79 2.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 43' ' ' TRP . 10.3 p -87.65 118.85 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -106.04 149.0 37.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.06 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' HIS . 12.0 t0 -122.67 -177.18 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -45.84 -36.09 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.04 -50.19 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ASP . 20.1 m80 -85.36 115.22 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 17.7 pttt -127.67 116.39 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.425 ' C ' HD12 ' A' ' 59' ' ' LEU . 7.7 mtm -96.96 143.81 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 58' ' ' MET . 8.7 mp -116.07 142.39 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.05 97.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -80.5 129.91 34.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -44.36 -39.92 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.428 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 7.8 m-80 -52.24 -43.73 64.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.61 -7.32 5.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.0 t -75.32 114.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -100.31 153.74 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 m -156.68 140.39 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.1 118.27 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mt -115.5 136.22 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.0 mt -135.2 123.52 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.1 tm-20 -161.04 124.67 1.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.3 Cg_endo -69.8 -172.32 7.42 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.0 t -122.84 137.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -121.29 -176.79 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -67.11 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -65.06 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -70.85 -19.82 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.5 126.39 31.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.25 -152.74 22.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.09 108.62 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -84.19 115.41 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 m -104.15 125.08 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 46.5 t -119.23 138.71 52.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 mt -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 39' ' ' PRO . . . -93.4 111.19 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.635 HG23 ' HB2' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -105.19 115.35 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -119.2 161.88 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.84 -22.54 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.14 -56.74 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.75 -144.24 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.635 ' HB2' HG23 ' A' ' 86' ' ' THR . 26.6 tt0 -161.87 145.45 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -138.33 159.5 41.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.0 p -143.64 151.08 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -153.94 140.67 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 p -110.18 156.51 20.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.3 pp -148.2 163.26 37.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.3 tp10 -120.68 145.02 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.95 116.85 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.2 134.16 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.09 116.63 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.28 116.98 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.66 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -54.36 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -148.48 148.44 30.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.9 p -118.85 105.01 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.39 86.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 89.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -148.17 123.7 10.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 p -140.96 152.34 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -140.3 159.29 42.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.54 105.9 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 147.19 45.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -96.91 -48.62 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -77.16 -43.73 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 -173.07 18.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.36 133.4 34.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -54.52 150.09 18.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' SER . 53.6 Cg_endo -69.78 104.7 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.13 120.03 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -78.24 106.13 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.5 mp -59.53 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -132.83 113.24 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.33 144.33 32.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.25 2.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.15 -117.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 19' ' ' LEU . 3.0 t70 -99.16 133.16 43.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.355 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 18' ' ' ASP . 6.9 mp -131.5 164.28 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -135.73 108.7 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 25' ' ' LYS . 76.9 t -131.02 122.34 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.48 141.19 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -45.05 137.31 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.07 32.53 39.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 21.0 mmmt -128.15 173.82 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' C ' ' A' ' 26' ' ' LEU . 3.5 tm? -85.25 129.85 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' LEU . 9.1 t -126.29 116.89 21.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -128.97 144.65 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.3 mtm -149.6 117.51 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -100.61 150.64 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -158.12 131.27 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 65' ' ' VAL . 52.9 mtpt -109.66 149.26 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 33' ' ' VAL . 11.1 p -146.24 126.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 1.6 t -88.33 152.44 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 158.35 8.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 4.1 tt -148.57 124.03 5.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 36' ' ' LEU . 53.7 Cg_endo -69.74 -177.0 13.56 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -50.79 120.71 13.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 53.5 Cg_endo -69.78 129.36 17.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 119.82 32.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -120.77 143.52 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -114.24 137.15 52.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.83 147.78 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -143.5 124.03 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.0 tp -114.48 134.17 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.7 t0 37.56 40.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.61 42.99 93.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 27.6 mtpt -150.31 151.0 30.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.9 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -83.16 110.08 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -96.85 148.54 34.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 124.18 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 8.3 t70 -126.61 -176.0 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.6 p -50.53 -30.2 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.9 -43.75 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' ASP . 38.6 m80 -86.73 113.35 22.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HD3' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -125.33 144.8 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.512 ' C ' HD12 ' A' ' 59' ' ' LEU . 3.4 mtm -115.65 147.46 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 58' ' ' MET . 5.3 mp -140.3 128.53 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 60' ' ' VAL . 5.9 p -135.78 113.59 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -102.56 -178.0 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -75.74 168.34 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.8 29.27 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.76 77.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.503 HG22 ' HG2' ' A' ' 32' ' ' LYS . 24.4 t -137.21 131.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.547 ' CD2' HD21 ' A' ' 41' ' ' LEU . 9.7 m-70 -142.0 128.43 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.3 m -134.1 139.75 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.86 106.83 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.59 HG22 ' HD3' ' A' ' 57' ' ' LYS . 92.9 mt -103.39 135.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.9 mt -133.74 125.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.3 tm-20 -165.09 124.24 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 71' ' ' GLU . 53.2 Cg_endo -69.82 -166.74 3.4 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.307 0.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.8 t -128.24 146.61 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.3 p -123.54 176.18 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 t -69.67 -23.01 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -29.47 66.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.91 -23.84 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . . . -72.28 122.67 21.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 171.99 -153.66 20.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.7 mm -112.7 99.86 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.482 ' HE1' HD23 ' A' ' 98' ' ' LEU . 71.4 m-85 -78.67 111.12 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -115.45 137.97 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . 6.6 m -125.49 146.63 49.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 84' ' ' ILE . 4.9 mp -130.29 103.09 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -91.75 110.98 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' HB3' ' A' ' 91' ' ' GLN . 3.5 m -114.3 115.88 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -118.81 -179.4 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -42.67 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.4 -135.72 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.93 ' HB3' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -161.48 158.58 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -144.65 173.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.0 p -153.36 149.04 27.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -155.02 133.95 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.3 p -113.4 151.31 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.32 161.75 36.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -112.52 143.29 43.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.482 HD23 ' HE1' ' A' ' 81' ' ' TYR . 18.1 tp -140.62 117.31 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -96.88 132.86 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 78' ' ' ALA . 90.3 t -122.45 117.66 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.94 117.72 28.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.46 140.94 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -80.8 79.8 7.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 103' ' ' LYS . 6.0 pt-20 -34.19 98.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LYS . 1.9 m -77.2 126.33 30.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.67 -77.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.71 12.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -72.9 124.3 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -87.25 -32.82 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.976 . . . . . . . . 0 0 . 1 stop_ save_