data_2dit_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 2dit _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 ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' C ' HD12 ' A' ' 19' ' ' ILE . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' C ' ' A' ' 18' ' ' VAL . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.482 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 39' ' ' ILE . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD13 ' CE1' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HG11 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.41 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.505 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.527 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.401 ' CG1' HG23 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' CD1' ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 20' ' ' ILE . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' HG21 ' A' ' 45' ' ' VAL . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' CG1' ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.581 ' SG ' ' CE1' ' A' ' 50' ' ' PHE . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG23 ' CG1' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.537 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.446 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.548 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 23.3 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 18' ' ' VAL . 88.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.486 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.611 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 39' ' ' ILE . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 29' ' ' PHE . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 35' ' ' VAL . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' HD13 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' HD12 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 48' ' ' SER . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.533 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.528 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' O ' ' CG2' ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 60' ' ' ASP . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 39' ' ' ILE . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.432 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' CG ' HG13 ' A' ' 53' ' ' ILE . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 45' ' ' VAL . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.602 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HE2' ' CG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 ' CG2' ' A' ' 53' ' ' ILE . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 24' ' ' PHE . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 62' ' ' HIS . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 22' ' ' ASN . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.55 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.518 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 24.3 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' CG2' ' A' ' 81' ' ' ILE . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.46 ' CE ' HD13 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.618 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 66' ' ' VAL . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.585 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 HG22 ' ND1' ' A' ' 62' ' ' HIS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.599 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.553 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.548 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.509 ' CD2' HG23 ' A' ' 103' ' ' THR . 23.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.454 ' CE ' HD12 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' A' ' 36' ' ' LEU . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.528 ' CG ' HG22 ' A' ' 66' ' ' VAL . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.494 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB3' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.522 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.522 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 89' ' ' PHE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.562 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.562 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.565 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 66' ' ' VAL . 18.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' CD ' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.436 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.412 ' CB ' ' HD1' ' A' ' 25' ' ' HIS . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' CB ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.454 ' CD1' HG11 ' A' ' 35' ' ' VAL . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' HD13 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 48' ' ' SER . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CB ' ' A' ' 70' ' ' SER . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.655 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 66' ' ' VAL . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CD ' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.5 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.411 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.525 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.488 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.488 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 27.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.412 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CE ' HG23 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 t30 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.502 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.648 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 39' ' ' ILE . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 24' ' ' PHE . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' C ' HD12 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.648 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 HG23 ' CE ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.404 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.43 ' C ' HG23 ' A' ' 94' ' ' ILE . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.43 HG23 ' C ' ' A' ' 93' ' ' GLN . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.566 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.583 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 25.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.507 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.618 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 39' ' ' ILE . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 35' ' ' VAL . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.48 ' N ' HG23 ' A' ' 45' ' ' VAL . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CG ' HG23 ' A' ' 66' ' ' VAL . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.586 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 62' ' ' HIS . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.453 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.537 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.544 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.583 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 19.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' O ' ' CG2' ' A' ' 94' ' ' ILE . 6.1 t30 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.548 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.66 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 39' ' ' ILE . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD13 ' CG1' ' A' ' 35' ' ' VAL . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.472 ' N ' HG21 ' A' ' 45' ' ' VAL . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.414 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' CE ' HD23 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD23 ' CE ' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.66 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 66' ' ' VAL . 2.7 t-80 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.504 HG23 ' CG ' ' A' ' 62' ' ' HIS . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' CG2' HG13 ' A' ' 18' ' ' VAL . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CD1' HD12 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.554 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.549 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 24.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.616 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.498 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.445 ' CA ' HD12 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CA ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' CG ' HG22 ' A' ' 66' ' ' VAL . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.463 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.605 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.558 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.436 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.528 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.545 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.512 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 81' ' ' ILE . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 HD11 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.452 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.61 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 45' ' ' VAL . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD11 ' CG1' ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.61 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.566 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.513 ' CG ' HG21 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.585 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' CG ' ' A' ' 62' ' ' HIS . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.483 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CG2' HG13 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 105' ' ' TYR . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.554 ' CD2' HG23 ' A' ' 103' ' ' THR . 21.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.931 0.396 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.633 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' HD23 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' HD13 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.633 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.411 ' ND1' HG21 ' A' ' 66' ' ' VAL . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG21 ' ND1' ' A' ' 62' ' ' HIS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.488 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.526 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 89' ' ' PHE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.504 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.459 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.404 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 71' ' ' PHE . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.487 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CG ' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 39' ' ' ILE . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' CG ' HG13 ' A' ' 53' ' ' ILE . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.57 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG22 ' CG ' ' A' ' 62' ' ' HIS . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.404 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.418 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.418 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.403 HG22 ' C ' ' A' ' 93' ' ' GLN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.532 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.547 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 21.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 71' ' ' PHE . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.432 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.462 ' N ' ' HE1' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 70' ' ' SER . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.583 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.559 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CG ' HG21 ' A' ' 66' ' ' VAL . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 62' ' ' HIS . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.435 ' SG ' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.447 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.418 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.447 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.52 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.455 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.455 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.44 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 23.6 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.506 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CB ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CG ' ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.408 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.539 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.471 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.471 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.588 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 26.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 18' ' ' VAL . 49.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.406 HG23 ' CD1' ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.483 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 39' ' ' ILE . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' ' CG1' ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' C ' HD12 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.414 ' ND1' HG22 ' A' ' 66' ' ' VAL . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' ND1' ' A' ' 62' ' ' HIS . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.504 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 18' ' ' VAL . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 20' ' ' ILE . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.55 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 22.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 ' CE ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD23 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG22 ' CG ' ' A' ' 62' ' ' HIS . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.599 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.407 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.543 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.543 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 25.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 81' ' ' ILE . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.48 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.633 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 39' ' ' ILE . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' GLY . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.633 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 66' ' ' VAL . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 62' ' ' HIS . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' TYR . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.479 ' SG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.479 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.427 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.513 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 89' ' ' PHE . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.509 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.556 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.522 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.522 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 22.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG13 ' CG2' ' A' ' 81' ' ' ILE . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 20' ' ' ILE . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 19' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' ND2' ' HE ' ' A' ' 92' ' ' ARG . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 39' ' ' ILE . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 35' ' ' VAL . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.529 ' CG ' HG22 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG22 ' CG ' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 71' ' ' PHE . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 69' ' ' VAL . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CG2' HG13 ' A' ' 18' ' ' VAL . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.431 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.477 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.416 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.5 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.437 HG23 ' C ' ' A' ' 93' ' ' GLN . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.557 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.562 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.561 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.574 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 22.1 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -173.21 158.58 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -59.39 167.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.61 -137.56 8.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m -80.65 79.87 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -76.77 85.02 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.95 16.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.5 -98.33 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.72 60.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.291 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 m -133.19 53.77 2.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 160.42 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 16.5 ptp -102.34 139.45 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.6 77.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 12' ' ' MET . 2.5 p80 -172.32 163.36 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.55 130.88 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.16 35.68 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -135.85 149.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' C ' HD12 ' A' ' 19' ' ' ILE . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' C ' ' A' ' 18' ' ' VAL . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.482 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 39' ' ' ILE . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD13 ' CE1' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HG11 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.505 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.527 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 -58.16 -71.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.495 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -91.94 -36.2 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -48.9 161.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.55 -178.28 15.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 t -95.24 58.84 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -158.51 163.19 37.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -165.16 112.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -54.8 -51.35 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.93 -173.87 54.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -40.37 117.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -100.33 -43.14 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 43.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.05 122.41 7.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -10.15 27.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.6 p -107.34 126.15 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -167.54 159.4 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.4 mtp -75.52 113.7 13.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -119.68 78.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -165.0 148.02 8.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -121.44 115.47 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 25.6 mmm180 -113.97 80.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -119.43 137.05 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.401 ' CG1' HG23 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' CD1' ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 20' ' ' ILE . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' HG21 ' A' ' 45' ' ' VAL . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' CG1' ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ARG . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.581 ' SG ' ' CE1' ' A' ' 50' ' ' PHE . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG23 ' CG1' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.537 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.446 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.548 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 23.3 m-85 -51.16 -70.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -98.72 -34.81 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 t -45.57 159.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.33 83.58 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.72 28.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p -113.32 85.23 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 166.28 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -125.09 -54.95 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -81.57 143.91 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.94 127.15 32.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -48.2 -58.21 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -164.86 149.75 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 179.09 52.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.15 -103.72 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.28 7.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.14 121.49 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -126.44 48.21 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.8 mmm -89.66 110.07 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -103.94 98.84 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -90.95 44.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.3 44.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 24.8 mmt180 -118.8 58.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 18' ' ' VAL . 88.2 t -105.63 135.07 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.486 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.611 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 39' ' ' ILE . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 29' ' ' PHE . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 35' ' ' VAL . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' HD13 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' HD12 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 48' ' ' SER . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.533 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.528 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.48 HG22 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 -69.85 -64.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -26.91 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 p -44.74 147.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.14 153.4 42.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -166.16 131.86 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.6 t -116.61 102.14 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -129.21 175.73 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -68.97 172.66 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.85 103.3 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -126.42 128.91 47.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.1 m -67.63 -46.57 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.71 143.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.04 72.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -41.78 3.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -68.18 153.12 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -73.37 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.451 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 26.2 mmt -85.94 132.55 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 ptt-85 -77.91 -2.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 15.9 p-80 -105.81 117.22 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' HIS . 1.6 pm0 -36.34 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 17.9 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.68 133.67 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' O ' ' CG2' ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 60' ' ' ASP . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 39' ' ' ILE . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.432 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' CG ' HG13 ' A' ' 53' ' ' ILE . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 45' ' ' VAL . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.602 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HE2' ' CG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 ' CG2' ' A' ' 53' ' ' ILE . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 24' ' ' PHE . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 62' ' ' HIS . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 22' ' ' ASN . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.55 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.518 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 24.3 m-85 -54.56 -47.98 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -104.19 -41.79 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' GLN . 3.4 p -36.25 146.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.17 146.11 22.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 124.31 10.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -164.68 126.19 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -114.5 175.78 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -100.54 -43.71 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 48.38 42.33 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 157.46 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -71.42 132.96 45.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -47.3 172.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.79 146.73 25.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 103.65 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.7 31.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.8 p -48.59 173.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -104.37 138.77 40.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 4.9 mmt -54.85 159.92 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -128.58 76.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 1.8 p-80 -173.36 171.15 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.61 114.32 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -131.4 22.82 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t -121.1 144.26 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' CG2' ' A' ' 81' ' ' ILE . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.46 ' CE ' HD13 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.618 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 106' ' ' GLN . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 66' ' ' VAL . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.585 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 HG22 ' ND1' ' A' ' 62' ' ' HIS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.599 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.553 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.548 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.509 ' CD2' HG23 ' A' ' 103' ' ' THR . 23.5 m-85 -61.48 -62.87 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -98.18 -32.66 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 29.3 t -80.99 154.98 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -120.6 147.68 17.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 135.48 30.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.8 p -123.67 135.31 53.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.9 t -127.58 141.92 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -117.89 41.96 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -115.7 146.67 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.04 -148.84 22.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.435 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -98.77 153.59 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -95.1 134.31 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.08 36.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.02 -152.9 22.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.68 60.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.216 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -53.32 131.27 37.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -49.35 152.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.455 ' CB ' ' NE2' ' A' ' 14' ' ' HIS . 1.8 mpp? -80.41 171.08 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -106.25 71.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.455 ' NE2' ' CB ' ' A' ' 12' ' ' MET . 0.5 OUTLIER -165.33 178.73 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -119.55 113.02 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -124.89 80.06 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t -135.7 126.43 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.454 ' CE ' HD12 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' A' ' 36' ' ' LEU . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.528 ' CG ' HG22 ' A' ' 66' ' ' VAL . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB3' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.522 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.522 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 89' ' ' PHE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.562 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.562 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.565 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 66' ' ' VAL . 18.7 m-85 -37.15 -64.72 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 -1.11 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 t -116.25 160.16 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.96 177.12 29.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.33 21.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -84.36 -57.75 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 59.89 26.31 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -167.41 135.42 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -87.23 17.0 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 36.72 84.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -129.25 123.88 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -40.41 -57.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.58 64.41 3.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 43.64 78.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -26.14 27.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -86.61 150.2 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.31 174.59 10.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 14' ' ' HIS . 61.3 mtm -127.12 158.28 37.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.46 41.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 12' ' ' MET . 60.0 m170 -91.73 -177.13 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -127.71 44.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.54 68.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.99 132.03 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' CD ' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.436 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.412 ' CB ' ' HD1' ' A' ' 25' ' ' HIS . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' CB ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.454 ' CD1' HG11 ' A' ' 35' ' ' VAL . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' HD13 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 48' ' ' SER . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CB ' ' A' ' 70' ' ' SER . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.655 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 106' ' ' GLN . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 66' ' ' VAL . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CD ' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.5 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.525 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.488 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.488 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 27.3 m-85 -49.35 -59.06 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -106.41 -37.26 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -46.68 151.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -97.04 -157.83 31.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.69 12.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -147.86 150.99 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -139.53 134.52 32.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.516 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -134.72 121.46 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -104.23 88.04 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.53 -116.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -53.48 -43.94 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -86.59 91.23 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 40.55 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.37 -169.87 17.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 98.57 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -120.33 146.29 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -99.5 123.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.408 ' HB3' ' NE2' ' A' ' 14' ' ' HIS . 3.3 mpp? -88.03 121.9 30.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -94.53 74.57 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 12' ' ' MET . 2.3 p80 -164.66 159.36 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -117.31 108.88 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 32.0 mmt180 -133.54 88.39 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.6 t -140.87 137.12 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.412 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CE ' HG23 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 t30 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.502 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.648 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 39' ' ' ILE . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 24' ' ' PHE . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' C ' HD12 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.648 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG23 ' CE ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.404 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.43 ' C ' HG23 ' A' ' 94' ' ' ILE . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.43 HG23 ' C ' ' A' ' 93' ' ' GLN . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.566 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.583 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 25.0 m-85 -51.28 -67.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -31.54 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 t -85.81 116.74 24.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.97 146.02 4.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.56 3.32 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -81.55 83.82 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -54.08 103.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t 44.72 42.05 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -44.7 168.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.98 108.97 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -80.52 -55.82 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.21 108.55 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 57.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.63 140.65 7.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.44 34.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -85.82 161.15 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -62.5 149.69 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -75.39 -179.65 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -89.52 26.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -87.3 -177.89 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -121.28 34.87 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 66.62 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 83.4 t -139.28 129.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.507 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.618 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 39' ' ' ILE . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 35' ' ' VAL . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.48 ' N ' HG23 ' A' ' 45' ' ' VAL . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CG ' HG23 ' A' ' 66' ' ' VAL . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.586 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 62' ' ' HIS . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.453 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.537 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.544 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.583 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 19.6 m-85 -47.32 -61.0 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -18.03 14.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -80.23 158.53 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.05 145.88 14.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -11.21 30.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -105.76 134.65 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 m -45.93 163.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -62.51 153.87 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -106.55 -54.82 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 43.6 6.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.8 110.28 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -79.98 84.5 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.84 -135.16 52.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.7 67.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -22.66 31.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -76.97 120.01 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.5 mtt180 -46.01 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.561 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 ptm -57.09 80.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' ARG . 7.9 mtp85 -86.35 89.6 7.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 12' ' ' MET . 12.4 p-80 -174.86 158.09 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -77.4 131.78 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -133.56 38.99 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.32 149.57 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' O ' ' CG2' ' A' ' 94' ' ' ILE . 6.1 t30 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.548 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.66 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 39' ' ' ILE . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD13 ' CG1' ' A' ' 35' ' ' VAL . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' N ' HG21 ' A' ' 45' ' ' VAL . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.414 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' CE ' HD23 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD23 ' CE ' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.66 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 66' ' ' VAL . 2.7 t-80 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.504 HG23 ' CG ' ' A' ' 62' ' ' HIS . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' CG2' HG13 ' A' ' 18' ' ' VAL . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.518 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CD1' HD12 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.554 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.549 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 24.2 m-85 -60.28 -60.43 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 -27.95 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 p -47.3 140.23 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.2 179.22 20.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.38 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -146.66 120.6 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 t -97.31 -55.47 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -100.66 91.97 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 32.1 m -77.48 115.12 16.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.86 -112.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -68.36 124.97 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -61.37 176.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.24 58.88 4.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.35 -112.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 84.24 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -58.98 135.29 57.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -86.91 119.34 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CE1' ' A' ' 14' ' ' HIS . 22.0 ptp -81.78 140.03 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -106.57 45.3 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' SD ' ' A' ' 12' ' ' MET . 15.3 p-80 -138.44 167.35 22.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.45 -36.61 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 6.3 mmp_? 49.58 41.18 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.0 t -98.24 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' C ' HD12 ' A' ' 19' ' ' ILE . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.616 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.498 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.445 ' CA ' HD12 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CA ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' CG ' HG22 ' A' ' 66' ' ' VAL . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.463 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.605 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.558 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.436 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.528 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.545 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.512 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 -62.44 -58.34 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.556 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -103.52 -32.54 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.922 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 3.5 p -43.52 145.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.81 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.78 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' PRO . 25.7 t -37.13 103.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.8 p -84.93 -42.32 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -85.56 48.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -166.7 176.08 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.7 121.47 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -85.87 102.45 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -102.55 83.99 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 96.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.26 145.85 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.517 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.63 13.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.8 p -159.16 160.67 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' SER . 12.3 ptt85 37.48 45.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 3.5 mmt -38.89 -63.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 61.99 38.72 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 4.0 p80 -155.33 159.23 39.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.65 102.02 9.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -86.08 50.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t -138.09 143.57 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 81' ' ' ILE . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 HD11 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.452 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.61 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 45' ' ' VAL . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HE2' ' CD2' ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD11 ' CG1' ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.61 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 106' ' ' GLN . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.566 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' CG ' HG21 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.585 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' CG ' ' A' ' 62' ' ' HIS . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.483 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CG2' HG13 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 105' ' ' TYR . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.554 ' CD2' HG23 ' A' ' 103' ' ' THR . 21.1 m-85 -63.89 -72.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 1.5 pp0? -114.83 -15.28 11.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 108.05 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.38 179.49 17.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.17 67.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.0 m -124.3 166.78 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.4 m -105.75 154.26 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -145.84 156.96 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -106.51 -51.08 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 76.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -47.95 -56.96 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -75.59 -55.18 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.65 103.38 1.11 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.72 82.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -40.66 5.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.22 126.04 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.13 149.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 11.7 mmt -97.81 120.34 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -100.83 60.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 2.6 p-80 -156.69 -178.01 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -92.63 98.67 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH1' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.99 -11.46 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' NH1' ' A' ' 16' ' ' ARG . 79.3 t -109.3 135.36 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.633 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' HD23 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 46' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' HD13 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.633 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' ND1' HG21 ' A' ' 66' ' ' VAL . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG21 ' ND1' ' A' ' 62' ' ' HIS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.488 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.526 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 89' ' ' PHE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.504 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.459 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.404 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.1 m-85 -41.96 -65.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.05 -38.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.3 t -44.91 151.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.21 -95.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.0 27.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 t -123.3 -49.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -111.99 132.41 54.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -131.76 144.8 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.37 123.11 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.04 -99.18 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -105.99 -49.7 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -94.07 -48.09 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.87 -139.42 13.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.43 156.24 13.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.5 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 t -123.2 136.53 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -59.92 82.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' SER . 8.3 ptp -47.86 103.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -39.83 -43.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 14' ' ' HIS . 23.7 p80 -70.33 80.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -90.11 148.64 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NH2' ' HB2' ' A' ' 78' ' ' ASP . 19.3 mmm180 -100.23 97.34 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -114.99 136.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 71' ' ' PHE . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.487 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CG ' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 39' ' ' ILE . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' CG ' HG13 ' A' ' 53' ' ' ILE . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.57 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG22 ' CG ' ' A' ' 62' ' ' HIS . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.411 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 18' ' ' VAL . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.418 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.418 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.403 HG22 ' C ' ' A' ' 93' ' ' GLN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.532 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.484 ' OG1' ' CZ ' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.547 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 21.8 m-85 -50.91 -63.49 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -36.28 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -38.85 146.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.42 145.48 18.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.05 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.4 t -93.58 95.75 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -74.49 -62.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -93.82 -46.98 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.84 115.8 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 53.24 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -69.0 110.12 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -73.6 -58.26 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 -177.07 29.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.65 142.48 29.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.7 Cg_endo -69.82 103.76 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.335 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' PRO . 8.6 t -37.97 144.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -68.83 172.84 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 80.9 mmm -94.46 123.24 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -104.25 92.08 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -78.72 47.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -95.03 -52.03 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' C ' HG23 ' A' ' 17' ' ' VAL . 17.2 mmt180 -56.3 98.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 16' ' ' ARG . 93.2 t -142.66 126.52 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 71' ' ' PHE . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.432 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.462 ' N ' ' HE1' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 70' ' ' SER . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.583 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.559 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CG ' HG21 ' A' ' 66' ' ' VAL . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 62' ' ' HIS . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.435 ' SG ' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.447 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.418 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.447 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.52 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.455 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.44 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 23.6 m-85 -63.47 -61.79 2.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -33.2 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -40.76 145.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -177.91 71.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.4 Cg_endo -69.78 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' PRO . 64.5 m 35.06 41.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -86.49 80.23 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -102.32 98.65 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -174.47 108.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.42 70.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -119.87 168.82 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -92.38 120.45 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 94.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -109.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 132.41 23.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 m -143.65 136.11 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -112.68 134.71 54.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -47.44 175.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 41.57 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.401 ' ND1' ' HD2' ' A' ' 16' ' ' ARG . 7.3 p80 -159.9 177.58 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.72 126.33 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -119.77 40.39 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.86 145.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.506 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CB ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 46' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 106' ' ' GLN . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CG ' ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.408 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.539 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.471 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.471 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.588 ' CG2' ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CD2' ' CG2' ' A' ' 103' ' ' THR . 26.2 m-85 -68.75 -74.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 1.8 pp0? -105.27 -19.0 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.439 ' HA ' ' NE2' ' A' ' 106' ' ' GLN . 47.7 t -62.27 142.53 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.87 128.39 4.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 124.89 11.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -73.58 -49.82 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m -56.35 -53.46 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -159.73 144.1 14.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 p -49.37 119.96 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -39.13 2.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -62.28 134.72 56.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -81.52 115.94 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 110.89 3.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -68.64 1.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 144.7 55.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -115.89 111.42 20.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.42 134.62 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.5 mtp -73.38 84.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -101.31 86.51 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -169.26 153.92 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.64 128.25 35.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 16.28 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 18' ' ' VAL . 49.9 t -120.41 145.96 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.406 HG23 ' CD1' ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.483 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 39' ' ' ILE . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 46' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' ' CG1' ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' C ' HD12 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.414 ' ND1' HG22 ' A' ' 66' ' ' VAL . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' ND1' ' A' ' 62' ' ' HIS . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.504 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 18' ' ' VAL . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 81' ' ' ILE . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 20' ' ' ILE . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.55 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 22.6 m-85 -51.63 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.88 -34.83 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -57.75 133.8 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.53 152.26 9.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.34 32.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 t -63.25 149.6 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 t -133.98 96.63 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -152.14 136.14 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.809 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.04 164.77 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 155.43 26.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -127.29 -51.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -89.98 43.01 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 79.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.69 162.3 48.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p -132.86 152.27 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 167.47 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -97.81 125.39 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -41.99 -37.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 26.3 p80 -78.76 140.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.93 90.47 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 14' ' ' HIS . 7.4 mpt_? -103.67 86.52 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 ' C ' ' A' ' 16' ' ' ARG . 72.0 t -142.38 144.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD12 ' CE ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 47' ' ' CYS . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD23 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 66' ' ' VAL . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG22 ' CG ' ' A' ' 62' ' ' HIS . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.599 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.407 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.543 ' OG1' ' CE2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.543 ' CE2' ' OG1' ' A' ' 103' ' ' THR . 25.1 m-85 -50.51 -67.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -36.16 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.0 t -47.35 148.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.04 179.6 39.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.4 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 85.8 p -111.56 146.21 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -124.19 128.39 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -160.89 123.62 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.46 159.59 31.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 136.64 7.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -46.54 118.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -150.02 142.08 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 101.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.01 -157.87 29.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 114.44 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.667 2.244 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 m -138.46 123.3 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -47.39 95.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.551 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 44.8 mtm -54.43 101.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -99.07 97.84 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 5.4 m170 -135.76 -177.71 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.19 58.67 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.42 50.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t -134.7 152.66 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 81' ' ' ILE . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.48 ' CE ' ' CG2' ' A' ' 39' ' ' ILE . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.633 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 34' ' ' LEU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 39' ' ' ILE . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' GLY . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.633 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 66' ' ' VAL . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 62' ' ' HIS . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' TYR . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.479 ' SG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.479 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.513 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 89' ' ' PHE . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.556 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.522 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.522 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 22.3 m-85 -49.25 -67.66 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -30.24 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -47.1 137.04 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 160.91 27.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.87 38.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.2 t -79.65 94.85 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m 62.13 40.71 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.539 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.8 114.89 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -109.04 -61.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -102.82 -86.32 1.93 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.3 m 35.05 46.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -137.01 156.68 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 160.33 9.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.79 79.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 145.96 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -148.69 163.23 37.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -41.64 122.68 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.9 mtp -48.06 117.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.35 77.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -174.56 152.81 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.85 104.45 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.33 139.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG13 ' CG2' ' A' ' 81' ' ' ILE . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 20' ' ' ILE . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 19' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' ND2' ' HE ' ' A' ' 92' ' ' ARG . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CZ ' ' CD1' ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 39' ' ' ILE . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 35' ' ' VAL . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 42' ' ' ASP . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' CG ' HG22 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG22 ' CG ' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG12 ' CE1' ' A' ' 71' ' ' PHE . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' HG12 ' A' ' 69' ' ' VAL . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CG2' HG13 ' A' ' 18' ' ' VAL . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.431 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.477 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.416 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.5 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.437 HG23 ' C ' ' A' ' 93' ' ' GLN . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.557 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.562 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.561 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.574 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 22.1 m-85 -55.18 -64.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -28.08 12.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -51.28 115.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 109' ' ' PRO . . . -92.62 108.4 3.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 108' ' ' GLY . 54.0 Cg_endo -69.76 165.98 29.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t -113.15 -48.66 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -73.56 -43.43 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.88 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.772 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.871 ' HB3' HG11 ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 28' ' ' ASP . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 HG12 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 56' ' ' LEU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 56' ' ' LEU . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.971 ' SG ' HG11 ' A' ' 69' ' ' VAL . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.58 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.581 ' C ' HD13 ' A' ' 53' ' ' ILE . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.767 ' CE ' HD21 ' A' ' 57' ' ' LEU . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 69' ' ' VAL . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD21 ' CE ' ' A' ' 55' ' ' LYS . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.772 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 59' ' ' PHE . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' PHE . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 20' ' ' ILE . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.587 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 70' ' ' SER . 58.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 66' ' ' VAL . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.703 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.691 ' SD ' HD11 ' A' ' 43' ' ' LEU . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.691 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.58 ' HG3' HG21 ' A' ' 53' ' ' ILE . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.691 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.948 ' SG ' HG11 ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 53' ' ' ILE . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' C ' HD13 ' A' ' 53' ' ' ILE . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.658 HD11 ' N ' ' A' ' 48' ' ' SER . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HE3' HD21 ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 69' ' ' VAL . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD21 ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' HD2' ' A' ' 21' ' ' LYS . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.49 ' OG ' HG11 ' A' ' 17' ' ' VAL . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.948 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.649 ' HA ' HG22 ' A' ' 17' ' ' VAL . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 18' ' ' VAL . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.713 HD11 ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.868 HD12 HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 81' ' ' ILE . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.649 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.649 HG22 ' NE1' ' A' ' 99' ' ' TRP . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.3 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 94' ' ' ILE . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HE2' HG22 ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.605 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.783 ' SD ' HD11 ' A' ' 43' ' ' LEU . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.854 ' HB3' HG11 ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.854 HG11 ' HB3' ' A' ' 28' ' ' ASP . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD11 HD22 ' A' ' 58' ' ' LEU . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 24' ' ' PHE . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 58' ' ' LEU . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.783 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.549 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.633 ' OE2' HD23 ' A' ' 43' ' ' LEU . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.866 ' SG ' HG11 ' A' ' 69' ' ' VAL . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.642 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' HD13 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 77' ' ' ALA . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 20' ' ' ILE . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.696 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.696 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.938 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.929 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.629 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.723 ' CB ' HD13 ' A' ' 39' ' ' ILE . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 35' ' ' VAL . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 28' ' ' ASP . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 58' ' ' LEU . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.723 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.041 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.671 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.041 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.671 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 69' ' ' VAL . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.622 ' N ' HD11 ' A' ' 53' ' ' ILE . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD12 HG13 ' A' ' 69' ' ' VAL . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.582 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.419 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.938 HD12 HG21 ' A' ' 20' ' ' ILE . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.714 ' NE1' HG22 ' A' ' 103' ' ' THR . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.552 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.714 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.616 ' CD2' HG21 ' A' ' 103' ' ' THR . 24.3 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.879 HG21 HD12 ' A' ' 94' ' ' ILE . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.689 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.655 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.694 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.96 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HB2' HD22 ' A' ' 56' ' ' LEU . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.719 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.819 ' SG ' HG11 ' A' ' 69' ' ' VAL . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.734 ' N ' HD11 ' A' ' 53' ' ' ILE . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.734 HD11 ' N ' ' A' ' 48' ' ' SER . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.517 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 69' ' ' VAL . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.882 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.879 HD12 HG21 ' A' ' 20' ' ' ILE . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 20' ' ' ILE . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.563 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.664 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.919 HG21 HD12 ' A' ' 94' ' ' ILE . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.881 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.829 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.013 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 45' ' ' VAL . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.829 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.759 ' HB2' HD22 ' A' ' 56' ' ' LEU . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.615 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.005 ' SG ' HG11 ' A' ' 69' ' ' VAL . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.601 ' N ' HD11 ' A' ' 53' ' ' ILE . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CB ' ' HG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' HD13 ' A' ' 53' ' ' ILE . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' HD2' HG12 ' A' ' 66' ' ' VAL . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.005 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HG ' ' CB ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 20' ' ' ILE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 81' ' ' ILE . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.742 ' CZ2' HG22 ' A' ' 103' ' ' THR . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.563 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.825 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.825 ' CD2' HG21 ' A' ' 103' ' ' THR . 18.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.92 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.658 ' SD ' HD11 ' A' ' 43' ' ' LEU . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CB ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG23 ' HD2' ' A' ' 89' ' ' PHE . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.035 ' O ' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.703 ' HB2' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.638 ' OE2' HD23 ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HG11 ' A' ' 69' ' ' VAL . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.655 ' N ' HD11 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 47' ' ' CYS . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.753 ' HE2' HD21 ' A' ' 57' ' ' LEU . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.753 HD21 ' HE2' ' A' ' 55' ' ' LYS . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' VAL . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.558 HG22 ' HE2' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.66 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.509 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.66 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.92 HD12 HG21 ' A' ' 20' ' ' ILE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.1 pm0 -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 103' ' ' THR . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.523 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 99' ' ' TRP . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 103' ' ' THR . 27.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG11 ' OG ' ' A' ' 68' ' ' SER . 48.6 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.889 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' HG22 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.808 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.6 t-20 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.692 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' HB3' ' A' ' 28' ' ' ASP . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 35' ' ' VAL . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.879 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.758 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.758 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.852 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.713 ' N ' HD11 ' A' ' 53' ' ' ILE . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.535 ' C ' HD13 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.713 HD11 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD12 HG13 ' A' ' 69' ' ' VAL . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG22 ' CD ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.41 ' OG ' HG11 ' A' ' 17' ' ' VAL . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.42 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.42 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.889 HD12 HG21 ' A' ' 20' ' ' ILE . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.508 ' NE1' HG22 ' A' ' 103' ' ' THR . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.839 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.839 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 ' OG ' ' A' ' 68' ' ' SER . 83.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.967 HG11 ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.944 HG21 HD12 ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 94' ' ' ILE . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.727 ' CE2' HD21 ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.506 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 28' ' ' ASP . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 58' ' ' LEU . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.933 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.97 ' HG3' HD22 ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.933 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.656 ' OE2' HD23 ' A' ' 43' ' ' LEU . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.998 ' SG ' HG11 ' A' ' 69' ' ' VAL . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 56' ' ' LEU . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.97 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD21 ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG12 ' HD2' ' A' ' 59' ' ' PHE . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.565 ' OG ' HG11 ' A' ' 17' ' ' VAL . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.998 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.454 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.944 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 103' ' ' THR . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.909 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.909 ' CD2' HG21 ' A' ' 103' ' ' THR . 19.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.943 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.953 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.3 t-20 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 43' ' ' LEU . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.858 ' CE2' HD21 ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 35' ' ' VAL . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 24' ' ' PHE . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.045 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.669 ' HB2' HD22 ' A' ' 56' ' ' LEU . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.962 ' SG ' HG11 ' A' ' 69' ' ' VAL . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.785 ' N ' HD11 ' A' ' 53' ' ' ILE . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.785 HD11 ' N ' ' A' ' 48' ' ' SER . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.94 ' HE3' HD21 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 69' ' ' VAL . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.94 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.858 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.503 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t60 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.602 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.962 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.404 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.7 pm0 -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 24.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.838 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.7 t-20 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.741 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.718 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.022 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.741 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 56' ' ' LEU . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.699 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.763 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.607 ' N ' HD11 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' N ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.787 ' HE2' HD21 ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.856 HD12 HG13 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.615 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HD2' ' A' ' 59' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.54 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.856 HG13 HD12 ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.54 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 20' ' ' ILE . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.613 ' NE1' HG22 ' A' ' 103' ' ' THR . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.613 HG22 ' NE1' ' A' ' 99' ' ' TRP . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.947 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' HG22 ' A' ' 66' ' ' VAL . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 HD12 ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.046 ' O ' HG13 ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.608 HD23 ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.666 ' HG3' HG21 ' A' ' 53' ' ' ILE . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.046 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.608 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.034 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.581 ' N ' HD11 ' A' ' 53' ' ' ILE . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.666 HG21 ' HG3' ' A' ' 44' ' ' ARG . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.856 ' HE2' HD21 ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.856 HD21 ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' HD2' HG12 ' A' ' 66' ' ' VAL . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' ND1' HG23 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 105' ' ' TYR . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.034 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.601 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.947 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 20' ' ' ILE . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.1 pm0 -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.752 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.561 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.752 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.931 0.396 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD13 ' A' ' 19' ' ' ILE . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 66' ' ' VAL . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.841 ' HB3' HD13 ' A' ' 39' ' ' ILE . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 28' ' ' ASP . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 24' ' ' PHE . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HG2' HD23 ' A' ' 56' ' ' LEU . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.998 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.612 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.998 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.612 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.003 ' SG ' HG11 ' A' ' 69' ' ' VAL . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.757 ' N ' HD11 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.657 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.757 HD11 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 57' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.917 HD12 HG13 ' A' ' 69' ' ' VAL . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.709 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.6 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' HE2' ' A' ' 21' ' ' LYS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.003 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ALA . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 20' ' ' ILE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.595 ' CE2' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.624 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.817 HG21 HD12 ' A' ' 94' ' ' ILE . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.6 t-20 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.755 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 39' ' ' ILE . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 28' ' ' ASP . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 24' ' ' PHE . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 56' ' ' LEU . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.016 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.707 ' HB2' HD22 ' A' ' 56' ' ' LEU . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.66 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 69' ' ' VAL . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.74 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 53' ' ' ILE . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 36' ' ' LEU . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 59' ' ' PHE . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.583 ' CE1' HG13 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.425 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' SER . 93.2 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.964 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.982 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 94' ' ' ILE . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CB ' HD13 ' A' ' 39' ' ' ILE . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE3' ' N ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.856 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.932 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.959 ' CG ' HD22 ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.995 ' SG ' HG11 ' A' ' 69' ' ' VAL . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' C ' HD13 ' A' ' 53' ' ' ILE . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 47' ' ' CYS . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.748 ' HE3' HD21 ' A' ' 57' ' ' LEU . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.959 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.748 HD21 ' HE3' ' A' ' 55' ' ' LYS . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HD2' HG12 ' A' ' 66' ' ' VAL . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG12 ' HD2' ' A' ' 59' ' ' PHE . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.995 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HG11 ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.461 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.461 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.982 HD12 HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.605 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.605 HG22 ' NE1' ' A' ' 99' ' ' TRP . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.6 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.926 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.662 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.02 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' HB2' HD22 ' A' ' 56' ' ' LEU . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.675 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 69' ' ' VAL . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.604 ' N ' HD11 ' A' ' 53' ' ' ILE . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE3' HD21 ' A' ' 57' ' ' LEU . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD22 ' HB2' ' A' ' 44' ' ' ARG . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD21 ' HE3' ' A' ' 55' ' ' LYS . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t-160 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.793 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.926 HD12 HG21 ' A' ' 20' ' ' ILE . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.628 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.474 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.837 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.837 ' CD2' HG21 ' A' ' 103' ' ' THR . 26.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 18' ' ' VAL . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.838 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.1 t-20 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.763 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 28' ' ' ASP . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.639 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.02 ' SG ' HG11 ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.663 ' N ' HD11 ' A' ' 53' ' ' ILE . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' C ' HD13 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.884 ' HE3' HD21 ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.884 HD21 ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.02 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.519 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.838 HG22 ' O ' ' A' ' 22' ' ' ASN . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.5 pm0 -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.712 HG21 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.712 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.9 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.742 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.76 ' CB ' HD13 ' A' ' 39' ' ' ILE . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.68 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 28' ' ' ASP . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.76 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.044 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.723 ' HB2' HD22 ' A' ' 56' ' ' LEU . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.044 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' OE2' HD23 ' A' ' 43' ' ' LEU . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.955 ' SG ' HG11 ' A' ' 69' ' ' VAL . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.632 ' N ' HD11 ' A' ' 53' ' ' ILE . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.538 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.407 HG12 ' HD2' ' A' ' 59' ' ' PHE . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.955 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 20' ' ' ILE . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CE2' HG22 ' A' ' 103' ' ' THR . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.012 HG11 ' SG ' ' A' ' 80' ' ' CYS . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.763 HG21 HD12 ' A' ' 94' ' ' ILE . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.784 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' ' 28' ' ' ASP . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.496 HD12 HG12 ' A' ' 35' ' ' VAL . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.784 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.694 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' HD11 ' A' ' 53' ' ' ILE . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' C ' HD13 ' A' ' 53' ' ' ILE . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 59' ' ' PHE . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 1.012 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' NE2' ' CE1' ' A' ' 79' ' ' TYR . 9.5 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.653 ' NE1' HG22 ' A' ' 103' ' ' THR . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.833 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.849 HG21 HD12 ' A' ' 94' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 94' ' ' ILE . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.756 ' HB3' HG11 ' A' ' 35' ' ' VAL . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 28' ' ' ASP . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 24' ' ' PHE . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 56' ' ' LEU . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.927 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 1.03 ' HG3' HD22 ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.757 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HG11 ' A' ' 69' ' ' VAL . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.633 ' N ' HD11 ' A' ' 53' ' ' ILE . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' O ' HD13 ' A' ' 53' ' ' ILE . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.633 HD11 ' N ' ' A' ' 48' ' ' SER . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.03 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' HG21 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.594 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.78 HG11 ' SG ' ' A' ' 47' ' ' CYS . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.687 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 80' ' ' CYS . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.446 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.496 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 94' ' ' ILE . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.849 HD12 HG21 ' A' ' 20' ' ' ILE . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.6 pm0 -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.521 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.521 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.827 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.827 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.1 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -173.21 158.58 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -59.39 167.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.61 -137.56 8.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m -80.65 79.87 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -76.77 85.02 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.95 16.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.5 -98.33 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.72 60.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.291 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 m -133.19 53.77 2.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 160.42 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 16.5 ptp -102.34 139.45 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.6 77.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 12' ' ' MET . 2.5 p80 -172.32 163.36 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.55 130.88 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.16 35.68 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -135.85 149.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.88 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.772 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.871 ' HB3' HG11 ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 28' ' ' ASP . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 HG12 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 56' ' ' LEU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 56' ' ' LEU . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.971 ' SG ' HG11 ' A' ' 69' ' ' VAL . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.58 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.581 ' C ' HD13 ' A' ' 53' ' ' ILE . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.767 ' CE ' HD21 ' A' ' 57' ' ' LEU . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 69' ' ' VAL . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD21 ' CE ' ' A' ' 55' ' ' LYS . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.772 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 59' ' ' PHE . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' PHE . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 20' ' ' ILE . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.587 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 -58.16 -71.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -91.94 -36.2 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -48.9 161.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.55 -178.28 15.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 t -95.24 58.84 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -158.51 163.19 37.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -165.16 112.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -54.8 -51.35 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.93 -173.87 54.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -40.37 117.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -100.33 -43.14 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 43.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.05 122.41 7.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -10.15 27.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.6 p -107.34 126.15 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -167.54 159.4 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.4 mtp -75.52 113.7 13.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -119.68 78.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -165.0 148.02 8.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -121.44 115.47 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 25.6 mmm180 -113.97 80.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 70' ' ' SER . 58.8 t -119.43 137.05 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 66' ' ' VAL . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.703 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.691 ' SD ' HD11 ' A' ' 43' ' ' LEU . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.691 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.58 ' HG3' HG21 ' A' ' 53' ' ' ILE . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.691 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.948 ' SG ' HG11 ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 53' ' ' ILE . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' C ' HD13 ' A' ' 53' ' ' ILE . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.658 HD11 ' N ' ' A' ' 48' ' ' SER . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HE3' HD21 ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 69' ' ' VAL . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD21 ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' HD2' ' A' ' 21' ' ' LYS . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.49 ' OG ' HG11 ' A' ' 17' ' ' VAL . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.948 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.649 ' HA ' HG22 ' A' ' 17' ' ' VAL . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 18' ' ' VAL . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.713 HD11 ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.868 HD12 HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 81' ' ' ILE . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.649 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.649 HG22 ' NE1' ' A' ' 99' ' ' TRP . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.3 m-85 -51.16 -70.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.529 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -98.72 -34.81 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 t -45.57 159.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.33 83.58 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.72 28.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p -113.32 85.23 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 166.28 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -125.09 -54.95 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -81.57 143.91 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.94 127.15 32.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -48.2 -58.21 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -164.86 149.75 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 179.09 52.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.15 -103.72 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.28 7.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.14 121.49 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -126.44 48.21 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.469 ' HE2' ' NE2' ' A' ' 14' ' ' HIS . 45.8 mmm -89.66 110.07 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -103.94 98.84 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' NE2' ' HE2' ' A' ' 12' ' ' MET . 20.0 m80 -90.95 44.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.3 44.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 24.8 mmt180 -118.8 58.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.63 135.07 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 94' ' ' ILE . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HE2' HG22 ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.605 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.783 ' SD ' HD11 ' A' ' 43' ' ' LEU . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.854 ' HB3' HG11 ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.854 HG11 ' HB3' ' A' ' 28' ' ' ASP . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD11 HD22 ' A' ' 58' ' ' LEU . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 24' ' ' PHE . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 58' ' ' LEU . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.549 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.633 ' OE2' HD23 ' A' ' 43' ' ' LEU . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.866 ' SG ' HG11 ' A' ' 69' ' ' VAL . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.642 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' HD13 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 77' ' ' ALA . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 20' ' ' ILE . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.696 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.696 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.0 m-85 -69.85 -64.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -26.91 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 p -44.74 147.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.14 153.4 42.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -166.16 131.86 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.6 t -116.61 102.14 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -129.21 175.73 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -68.97 172.66 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.85 103.3 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -126.42 128.91 47.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.1 m -67.63 -46.57 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.71 143.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.04 72.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -41.78 3.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -68.18 153.12 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -73.37 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.94 132.55 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 ptt-85 -77.91 -2.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' GLU . 33.1 p80 -105.81 117.22 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' HIS . 1.6 pm0 -36.34 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.96 17.9 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 16' ' ' ARG . 60.7 t -120.68 133.67 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.938 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.929 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.629 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.723 ' CB ' HD13 ' A' ' 39' ' ' ILE . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 35' ' ' VAL . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 28' ' ' ASP . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 58' ' ' LEU . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.723 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.041 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.671 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.041 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.671 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 69' ' ' VAL . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.622 ' N ' HD11 ' A' ' 53' ' ' ILE . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD12 HG13 ' A' ' 69' ' ' VAL . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.582 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.419 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.938 HD12 HG21 ' A' ' 20' ' ' ILE . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.714 ' NE1' HG22 ' A' ' 103' ' ' THR . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.552 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.714 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.616 ' CD2' HG21 ' A' ' 103' ' ' THR . 24.3 m-85 -54.56 -47.98 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -104.19 -41.79 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' GLN . 3.4 p -36.25 146.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.17 146.11 22.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 124.31 10.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -164.68 126.19 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -114.5 175.78 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -100.54 -43.71 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 48.38 42.33 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 157.46 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -71.42 132.96 45.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -47.3 172.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.79 146.73 25.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 103.65 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.7 31.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.8 p -48.59 173.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -104.37 138.77 40.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.514 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 4.9 mmt -54.85 159.92 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -128.58 76.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 4.2 p80 -173.36 171.15 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.61 114.32 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -131.4 22.82 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t -121.1 144.26 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.879 HG21 HD12 ' A' ' 94' ' ' ILE . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.689 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.655 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.694 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.96 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HB2' HD22 ' A' ' 56' ' ' LEU . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.719 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.819 ' SG ' HG11 ' A' ' 69' ' ' VAL . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.734 ' N ' HD11 ' A' ' 53' ' ' ILE . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.734 HD11 ' N ' ' A' ' 48' ' ' SER . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 69' ' ' VAL . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 106' ' ' GLN . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.882 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.879 HD12 HG21 ' A' ' 20' ' ' ILE . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 20' ' ' ILE . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.563 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.664 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.5 m-85 -61.48 -62.87 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 5.8 pt20 -98.18 -32.66 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 29.3 t -80.99 154.98 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -120.6 147.68 17.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 135.48 30.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.8 p -123.67 135.31 53.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.9 t -127.58 141.92 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -117.89 41.96 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -115.7 146.67 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.04 -148.84 22.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.435 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -98.77 153.59 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -95.1 134.31 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.08 36.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.02 -152.9 22.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.68 60.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.216 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -53.32 131.27 37.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -49.35 152.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.455 ' CB ' ' NE2' ' A' ' 14' ' ' HIS . 1.8 mpp? -80.41 171.08 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -106.25 71.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.455 ' NE2' ' CB ' ' A' ' 12' ' ' MET . 0.5 OUTLIER -165.33 178.73 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -119.55 113.02 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -124.89 80.06 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t -135.7 126.43 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.919 HG21 HD12 ' A' ' 94' ' ' ILE . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.881 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.829 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.013 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 45' ' ' VAL . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.829 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.759 ' HB2' HD22 ' A' ' 56' ' ' LEU . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.615 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.005 ' SG ' HG11 ' A' ' 69' ' ' VAL . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.601 ' N ' HD11 ' A' ' 53' ' ' ILE . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CB ' ' HG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' HD13 ' A' ' 53' ' ' ILE . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' HD2' HG12 ' A' ' 66' ' ' VAL . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.005 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HG ' ' CB ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 20' ' ' ILE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 81' ' ' ILE . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.742 ' CZ2' HG22 ' A' ' 103' ' ' THR . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.563 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.825 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.825 ' CD2' HG21 ' A' ' 103' ' ' THR . 18.7 m-85 -37.15 -64.72 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 -1.11 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 t -116.25 160.16 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.96 177.12 29.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.33 21.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -84.36 -57.75 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 59.89 26.31 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -167.41 135.42 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -87.23 17.0 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 36.72 84.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -129.25 123.88 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -40.41 -57.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.58 64.41 3.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 43.64 78.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -26.14 27.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -86.61 150.2 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.31 174.59 10.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.3 mtm -127.12 158.28 37.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.46 41.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -91.73 -177.13 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -127.71 44.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.54 68.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.99 132.03 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.92 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.658 ' SD ' HD11 ' A' ' 43' ' ' LEU . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CB ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG23 ' HD2' ' A' ' 89' ' ' PHE . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.035 ' O ' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.703 ' HB2' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.638 ' OE2' HD23 ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HG11 ' A' ' 69' ' ' VAL . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.655 ' N ' HD11 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 47' ' ' CYS . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.753 ' HE2' HD21 ' A' ' 57' ' ' LEU . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.753 HD21 ' HE2' ' A' ' 55' ' ' LYS . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 106' ' ' GLN . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.558 HG22 ' HE2' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.66 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.509 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.66 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.92 HD12 HG21 ' A' ' 20' ' ' ILE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.1 pm0 -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 103' ' ' THR . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.523 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 99' ' ' TRP . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 103' ' ' THR . 27.3 m-85 -49.35 -59.06 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -106.41 -37.26 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -46.68 151.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -97.04 -157.83 31.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.69 12.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -147.86 150.99 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -139.53 134.52 32.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.516 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -134.72 121.46 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -104.23 88.04 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.53 -116.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -53.48 -43.94 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -86.59 91.23 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 40.55 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.37 -169.87 17.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 98.57 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -120.33 146.29 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -99.5 123.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.416 ' HB3' ' NE2' ' A' ' 14' ' ' HIS . 3.3 mpp? -88.03 121.9 30.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -94.53 74.57 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 12' ' ' MET . 2.3 p80 -164.66 159.36 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -117.31 108.88 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 32.0 mmt180 -133.54 88.39 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG11 ' OG ' ' A' ' 68' ' ' SER . 48.6 t -140.87 137.12 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.889 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' HG22 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.808 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.6 t-20 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.692 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' HB3' ' A' ' 28' ' ' ASP . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 35' ' ' VAL . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.879 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.758 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.758 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.852 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.713 ' N ' HD11 ' A' ' 53' ' ' ILE . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.535 ' C ' HD13 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.713 HD11 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD12 HG13 ' A' ' 69' ' ' VAL . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG22 ' CD ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.41 ' OG ' HG11 ' A' ' 17' ' ' VAL . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.42 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.42 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.889 HD12 HG21 ' A' ' 20' ' ' ILE . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.508 ' NE1' HG22 ' A' ' 103' ' ' THR . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.839 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.839 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.0 m-85 -51.28 -67.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -31.54 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 t -85.81 116.74 24.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.97 146.02 4.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.56 3.32 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -81.55 83.82 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -54.08 103.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t 44.72 42.05 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -44.7 168.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.98 108.97 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -80.52 -55.82 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.21 108.55 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 57.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.63 140.65 7.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.44 34.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -85.82 161.15 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -62.5 149.69 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -75.39 -179.65 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -89.52 26.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -87.3 -177.89 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -121.28 34.87 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 66.62 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 ' OG ' ' A' ' 68' ' ' SER . 83.4 t -139.28 129.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.967 HG11 ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.944 HG21 HD12 ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 94' ' ' ILE . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.727 ' CE2' HD21 ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.506 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 28' ' ' ASP . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 58' ' ' LEU . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.933 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.97 ' HG3' HD22 ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.933 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.656 ' OE2' HD23 ' A' ' 43' ' ' LEU . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.998 ' SG ' HG11 ' A' ' 69' ' ' VAL . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 56' ' ' LEU . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.97 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD21 ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG12 ' HD2' ' A' ' 59' ' ' PHE . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.565 ' OG ' HG11 ' A' ' 17' ' ' VAL . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.998 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.454 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.944 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 103' ' ' THR . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.909 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.909 ' CD2' HG21 ' A' ' 103' ' ' THR . 19.6 m-85 -47.32 -61.0 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -18.03 14.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -80.23 158.53 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.05 145.88 14.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -11.21 30.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -105.76 134.65 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 m -45.93 163.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -62.51 153.87 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -106.55 -54.82 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 43.6 6.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.8 110.28 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -79.98 84.5 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.84 -135.16 52.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.7 67.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -22.66 31.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -76.97 120.01 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.5 mtt180 -46.01 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 ptm -57.09 80.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' ARG . 7.9 mtp85 -86.35 89.6 7.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -174.86 158.09 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -77.4 131.78 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -133.56 38.99 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.32 149.57 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.943 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.953 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.3 t-20 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 43' ' ' LEU . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.858 ' CE2' HD21 ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 35' ' ' VAL . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 24' ' ' PHE . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.045 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.669 ' HB2' HD22 ' A' ' 56' ' ' LEU . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.962 ' SG ' HG11 ' A' ' 69' ' ' VAL . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.785 ' N ' HD11 ' A' ' 53' ' ' ILE . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.785 HD11 ' N ' ' A' ' 48' ' ' SER . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.94 ' HE3' HD21 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 69' ' ' VAL . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.94 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.858 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.503 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t60 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.602 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.962 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' C ' ' OE1' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.7 pm0 -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 24.2 m-85 -60.28 -60.43 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 -27.95 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 p -47.3 140.23 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.2 179.22 20.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.38 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -146.66 120.6 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 t -97.31 -55.47 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -100.66 91.97 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 32.1 m -77.48 115.12 16.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.86 -112.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -68.36 124.97 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -61.37 176.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.24 58.88 4.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.35 -112.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 84.24 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -58.98 135.29 57.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -86.91 119.34 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CE1' ' A' ' 14' ' ' HIS . 22.0 ptp -81.78 140.03 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -106.57 45.3 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' SD ' ' A' ' 12' ' ' MET . 15.3 p-80 -138.44 167.35 22.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' HB2' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -128.45 -36.61 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 6.3 mmp_? 49.58 41.18 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 15' ' ' GLU . 45.0 t -98.24 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.838 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.7 t-20 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.741 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.718 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.022 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.741 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 56' ' ' LEU . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.699 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.763 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.607 ' N ' HD11 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' N ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.787 ' HE2' HD21 ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.856 HD12 HG13 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.615 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HD2' ' A' ' 59' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.54 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.856 HG13 HD12 ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 20' ' ' ILE . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.613 ' NE1' HG22 ' A' ' 103' ' ' THR . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.613 HG22 ' NE1' ' A' ' 99' ' ' TRP . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 -62.44 -58.34 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -103.52 -32.54 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.922 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 3.5 p -43.52 145.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.81 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.78 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' PRO . 25.7 t -37.13 103.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.8 p -84.93 -42.32 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -85.56 48.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -166.7 176.08 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.7 121.47 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -85.87 102.45 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -102.55 83.99 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 96.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.26 145.85 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.517 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.63 13.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.8 p -159.16 160.67 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' SER . 12.3 ptt85 37.48 45.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 3.5 mmt -38.89 -63.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 61.99 38.72 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 4.0 p80 -155.33 159.23 39.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.65 102.02 9.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -86.08 50.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t -138.09 143.57 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.947 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' HG22 ' A' ' 66' ' ' VAL . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 HD12 ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.046 ' O ' HG13 ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.608 HD23 ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.666 ' HG3' HG21 ' A' ' 53' ' ' ILE . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.046 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.608 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.034 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.581 ' N ' HD11 ' A' ' 53' ' ' ILE . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.666 HG21 ' HG3' ' A' ' 44' ' ' ARG . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.856 ' HE2' HD21 ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.856 HD21 ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' HD2' HG12 ' A' ' 66' ' ' VAL . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' ND1' HG23 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 105' ' ' TYR . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.034 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.601 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.947 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 20' ' ' ILE . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.1 pm0 -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.752 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.561 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.752 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.1 m-85 -63.89 -72.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.83 -15.28 11.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 108.05 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.38 179.49 17.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.17 67.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.0 m -124.3 166.78 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.4 m -105.75 154.26 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -145.84 156.96 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -106.51 -51.08 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 76.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -47.95 -56.96 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -75.59 -55.18 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.65 103.38 1.11 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.72 82.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -40.66 5.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.22 126.04 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.13 149.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mmt -97.81 120.34 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -100.83 60.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -156.69 -178.01 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -92.63 98.67 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.99 -11.46 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' ARG . 79.3 t -109.3 135.36 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD13 ' A' ' 19' ' ' ILE . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 66' ' ' VAL . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.841 ' HB3' HD13 ' A' ' 39' ' ' ILE . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 28' ' ' ASP . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 24' ' ' PHE . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HG2' HD23 ' A' ' 56' ' ' LEU . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.998 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.612 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.998 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.612 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.003 ' SG ' HG11 ' A' ' 69' ' ' VAL . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.757 ' N ' HD11 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.657 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.757 HD11 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 57' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.917 HD12 HG13 ' A' ' 69' ' ' VAL . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.709 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.6 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' HE2' ' A' ' 21' ' ' LYS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.003 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ALA . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 20' ' ' ILE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.595 ' CE2' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.624 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.1 m-85 -41.96 -65.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.05 -38.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.3 t -44.91 151.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.21 -95.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.0 27.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 t -123.3 -49.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -111.99 132.41 54.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -131.76 144.8 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.37 123.11 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.04 -99.18 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -105.99 -49.7 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -94.07 -48.09 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.87 -139.42 13.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.43 156.24 13.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.5 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 t -123.2 136.53 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -59.92 82.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' SER . 8.3 ptp -47.86 103.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -39.83 -43.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 14' ' ' HIS . 23.7 p80 -70.33 80.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -90.11 148.64 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 78' ' ' ASP . 19.3 mmm180 -100.23 97.34 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -114.99 136.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.817 HG21 HD12 ' A' ' 94' ' ' ILE . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.6 t-20 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.755 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 39' ' ' ILE . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 28' ' ' ASP . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 24' ' ' PHE . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 56' ' ' LEU . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.016 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.707 ' HB2' HD22 ' A' ' 56' ' ' LEU . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.66 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 69' ' ' VAL . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.74 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 53' ' ' ILE . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 36' ' ' LEU . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 59' ' ' PHE . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.583 ' CE1' HG13 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.8 m-85 -50.91 -63.49 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -36.28 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -38.85 146.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.42 145.48 18.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.05 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.4 t -93.58 95.75 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -74.49 -62.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -93.82 -46.98 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.84 115.8 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 53.24 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -69.0 110.12 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -73.6 -58.26 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 -177.07 29.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.65 142.48 29.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.7 Cg_endo -69.82 103.76 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.335 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' PRO . 8.6 t -37.97 144.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -68.83 172.84 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 80.9 mmm -94.46 123.24 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -104.25 92.08 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -78.72 47.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -95.03 -52.03 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -56.3 98.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' SER . 93.2 t -142.66 126.52 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.964 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.982 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 94' ' ' ILE . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CB ' HD13 ' A' ' 39' ' ' ILE . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE3' ' N ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.856 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.932 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.959 ' CG ' HD22 ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.995 ' SG ' HG11 ' A' ' 69' ' ' VAL . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' C ' HD13 ' A' ' 53' ' ' ILE . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 47' ' ' CYS . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.748 ' HE3' HD21 ' A' ' 57' ' ' LEU . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.959 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.748 HD21 ' HE3' ' A' ' 55' ' ' LYS . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HD2' HG12 ' A' ' 66' ' ' VAL . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG12 ' HD2' ' A' ' 59' ' ' PHE . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.995 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HG11 ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.461 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.461 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.982 HD12 HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.605 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.605 HG22 ' NE1' ' A' ' 99' ' ' TRP . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.6 m-85 -63.47 -61.79 2.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -33.2 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -40.76 145.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -177.91 71.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.4 Cg_endo -69.78 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' PRO . 64.5 m 35.06 41.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -86.49 80.23 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -102.32 98.65 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -174.47 108.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.42 70.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -119.87 168.82 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -92.38 120.45 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 94.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -109.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 132.41 23.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 m -143.65 136.11 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -112.68 134.71 54.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -47.44 175.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 41.57 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 16' ' ' ARG . 7.3 p80 -159.9 177.58 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.72 126.33 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -119.77 40.39 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.86 145.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.926 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.662 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.02 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' HB2' HD22 ' A' ' 56' ' ' LEU . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.675 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 69' ' ' VAL . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.604 ' N ' HD11 ' A' ' 53' ' ' ILE . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE3' HD21 ' A' ' 57' ' ' LEU . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD22 ' HB2' ' A' ' 44' ' ' ARG . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD21 ' HE3' ' A' ' 55' ' ' LYS . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t-160 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.793 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.926 HD12 HG21 ' A' ' 20' ' ' ILE . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.628 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.837 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.837 ' CD2' HG21 ' A' ' 103' ' ' THR . 26.2 m-85 -68.75 -74.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -105.27 -19.0 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -62.27 142.53 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.87 128.39 4.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 124.89 11.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -73.58 -49.82 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m -56.35 -53.46 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -159.73 144.1 14.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 p -49.37 119.96 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -39.13 2.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -62.28 134.72 56.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -81.52 115.94 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 110.89 3.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -68.64 1.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 144.7 55.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -115.89 111.42 20.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.42 134.62 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.5 mtp -73.38 84.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -101.31 86.51 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -169.26 153.92 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.64 128.25 35.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 16.28 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.9 t -120.41 145.96 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 18' ' ' VAL . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.838 ' O ' HG22 ' A' ' 94' ' ' ILE . 2.1 t-20 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.763 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 28' ' ' ASP . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.639 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.02 ' SG ' HG11 ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.663 ' N ' HD11 ' A' ' 53' ' ' ILE . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' C ' HD13 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.884 ' HE3' HD21 ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.884 HD21 ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.02 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.519 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.838 HG22 ' O ' ' A' ' 22' ' ' ASN . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' HA ' ' A' ' 85' ' ' ASP . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.5 pm0 -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.712 HG21 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.712 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.6 m-85 -51.63 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.88 -34.83 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -57.75 133.8 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.53 152.26 9.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.34 32.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 t -63.25 149.6 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 t -133.98 96.63 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -152.14 136.14 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.809 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.04 164.77 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 155.43 26.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -127.29 -51.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -89.98 43.01 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 79.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.69 162.3 48.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p -132.86 152.27 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 167.47 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -97.81 125.39 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -41.99 -37.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 26.3 p80 -78.76 140.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.93 90.47 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 14' ' ' HIS . 7.4 mpt_? -103.67 86.52 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t -142.38 144.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.9 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.742 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.76 ' CB ' HD13 ' A' ' 39' ' ' ILE . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.68 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 28' ' ' ASP . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.76 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.044 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.723 ' HB2' HD22 ' A' ' 56' ' ' LEU . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.044 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' OE2' HD23 ' A' ' 43' ' ' LEU . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.955 ' SG ' HG11 ' A' ' 69' ' ' VAL . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.632 ' N ' HD11 ' A' ' 53' ' ' ILE . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG12 ' HD2' ' A' ' 59' ' ' PHE . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.955 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 20' ' ' ILE . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CE2' HG22 ' A' ' 103' ' ' THR . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.1 m-85 -50.51 -67.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -36.16 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.0 t -47.35 148.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.04 179.6 39.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.4 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 85.8 p -111.56 146.21 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -124.19 128.39 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -160.89 123.62 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.46 159.59 31.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 136.64 7.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -46.54 118.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -150.02 142.08 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 101.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.01 -157.87 29.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 114.44 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.667 2.244 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 m -138.46 123.3 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -47.39 95.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.8 mtm -54.43 101.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -99.07 97.84 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -135.76 -177.71 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.19 58.67 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.42 50.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t -134.7 152.66 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.012 HG11 ' SG ' ' A' ' 80' ' ' CYS . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.763 HG21 HD12 ' A' ' 94' ' ' ILE . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.784 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' ' 28' ' ' ASP . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.496 HD12 HG12 ' A' ' 35' ' ' VAL . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.784 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.694 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' HD11 ' A' ' 53' ' ' ILE . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' C ' HD13 ' A' ' 53' ' ' ILE . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 59' ' ' PHE . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 1.012 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' NE2' ' CE1' ' A' ' 79' ' ' TYR . 9.5 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.653 ' NE1' HG22 ' A' ' 103' ' ' THR . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.833 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.3 m-85 -49.25 -67.66 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -30.24 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -47.1 137.04 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 160.91 27.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.87 38.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.2 t -79.65 94.85 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m 62.13 40.71 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.539 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.8 114.89 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -109.04 -61.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -102.82 -86.32 1.93 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.3 m 35.05 46.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -137.01 156.68 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 160.33 9.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.79 79.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 145.96 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -148.69 163.23 37.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -41.64 122.68 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.9 mtp -48.06 117.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.35 77.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -174.56 152.81 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.85 104.45 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG23 ' HE ' ' A' ' 16' ' ' ARG . 18.1 t -126.33 139.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.849 HG21 HD12 ' A' ' 94' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 94' ' ' ILE . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.756 ' HB3' HG11 ' A' ' 35' ' ' VAL . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 28' ' ' ASP . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 24' ' ' PHE . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 56' ' ' LEU . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.927 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 1.03 ' HG3' HD22 ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.757 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HG11 ' A' ' 69' ' ' VAL . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.633 ' N ' HD11 ' A' ' 53' ' ' ILE . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' O ' HD13 ' A' ' 53' ' ' ILE . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.633 HD11 ' N ' ' A' ' 48' ' ' SER . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.03 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' HG21 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.594 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.78 HG11 ' SG ' ' A' ' 47' ' ' CYS . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.687 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 80' ' ' CYS . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.446 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.496 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 94' ' ' ILE . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.849 HD12 HG21 ' A' ' 20' ' ' ILE . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 96' ' ' ALA . 1.6 pm0 -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.521 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.521 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.827 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.827 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.1 m-85 -55.18 -64.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -28.08 12.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -51.28 115.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' HA2' ' HD2' ' A' ' 109' ' ' PRO . . . -92.62 108.4 3.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD2' ' HA2' ' A' ' 108' ' ' GLY . 54.0 Cg_endo -69.76 165.98 29.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t -113.15 -48.66 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -73.56 -43.43 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.403 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.88 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.772 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.871 ' HB3' HG11 ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 28' ' ' ASP . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 HG12 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 56' ' ' LEU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 56' ' ' LEU . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.971 ' SG ' HG11 ' A' ' 69' ' ' VAL . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.58 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.581 ' C ' HD13 ' A' ' 53' ' ' ILE . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.767 ' CE ' HD21 ' A' ' 57' ' ' LEU . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 69' ' ' VAL . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD21 ' CE ' ' A' ' 55' ' ' LYS . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.772 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 59' ' ' PHE . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' PHE . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 20' ' ' ILE . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.587 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 70' ' ' SER . 58.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 66' ' ' VAL . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.703 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.691 ' SD ' HD11 ' A' ' 43' ' ' LEU . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.691 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.58 ' HG3' HG21 ' A' ' 53' ' ' ILE . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.691 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.948 ' SG ' HG11 ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 53' ' ' ILE . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' C ' HD13 ' A' ' 53' ' ' ILE . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.658 HD11 ' N ' ' A' ' 48' ' ' SER . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HE3' HD21 ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 69' ' ' VAL . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD21 ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' HD2' ' A' ' 21' ' ' LYS . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.49 ' OG ' HG11 ' A' ' 17' ' ' VAL . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.948 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.649 ' HA ' HG22 ' A' ' 17' ' ' VAL . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 18' ' ' VAL . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.713 HD11 ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.868 HD12 HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.557 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.649 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.649 HG22 ' NE1' ' A' ' 99' ' ' TRP . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.3 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 94' ' ' ILE . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HE2' HG22 ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.605 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.783 ' SD ' HD11 ' A' ' 43' ' ' LEU . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.854 ' HB3' HG11 ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.854 HG11 ' HB3' ' A' ' 28' ' ' ASP . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD11 HD22 ' A' ' 58' ' ' LEU . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 24' ' ' PHE . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 58' ' ' LEU . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.783 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.549 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.633 ' OE2' HD23 ' A' ' 43' ' ' LEU . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.866 ' SG ' HG11 ' A' ' 69' ' ' VAL . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.642 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' HD13 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 77' ' ' ALA . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 20' ' ' ILE . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.533 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.696 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.696 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.938 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.929 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.629 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.723 ' CB ' HD13 ' A' ' 39' ' ' ILE . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 35' ' ' VAL . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 28' ' ' ASP . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 58' ' ' LEU . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.723 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.041 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.671 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.041 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.671 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 69' ' ' VAL . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.622 ' N ' HD11 ' A' ' 53' ' ' ILE . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD12 HG13 ' A' ' 69' ' ' VAL . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.582 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.419 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.938 HD12 HG21 ' A' ' 20' ' ' ILE . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.552 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.714 ' NE1' HG22 ' A' ' 103' ' ' THR . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.552 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.714 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.616 ' CD2' HG21 ' A' ' 103' ' ' THR . 24.3 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.879 HG21 HD12 ' A' ' 94' ' ' ILE . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.689 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.655 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.694 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.96 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HB2' HD22 ' A' ' 56' ' ' LEU . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.719 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.819 ' SG ' HG11 ' A' ' 69' ' ' VAL . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.734 ' N ' HD11 ' A' ' 53' ' ' ILE . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.734 HD11 ' N ' ' A' ' 48' ' ' SER . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.517 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 69' ' ' VAL . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.882 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.879 HD12 HG21 ' A' ' 20' ' ' ILE . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 20' ' ' ILE . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.553 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.563 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.664 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.418 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.919 HG21 HD12 ' A' ' 94' ' ' ILE . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.881 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.829 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.013 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 45' ' ' VAL . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.829 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.759 ' HB2' HD22 ' A' ' 56' ' ' LEU . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.615 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.005 ' SG ' HG11 ' A' ' 69' ' ' VAL . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.601 ' N ' HD11 ' A' ' 53' ' ' ILE . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CB ' ' HG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' HD13 ' A' ' 53' ' ' ILE . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' HD2' HG12 ' A' ' 66' ' ' VAL . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.005 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HG ' ' CB ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 20' ' ' ILE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.742 ' CZ2' HG22 ' A' ' 103' ' ' THR . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.563 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.825 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.825 ' CD2' HG21 ' A' ' 103' ' ' THR . 18.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.92 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.658 ' SD ' HD11 ' A' ' 43' ' ' LEU . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CB ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG23 ' HD2' ' A' ' 89' ' ' PHE . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.035 ' O ' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.703 ' HB2' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.638 ' OE2' HD23 ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HG11 ' A' ' 69' ' ' VAL . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.655 ' N ' HD11 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 47' ' ' CYS . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.753 ' HE2' HD21 ' A' ' 57' ' ' LEU . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.753 HD21 ' HE2' ' A' ' 55' ' ' LYS . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' VAL . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.558 HG22 ' HE2' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.66 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.509 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.66 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.92 HD12 HG21 ' A' ' 20' ' ' ILE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 103' ' ' THR . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.523 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 99' ' ' TRP . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 103' ' ' THR . 27.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG11 ' OG ' ' A' ' 68' ' ' SER . 48.6 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.889 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' HG22 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.808 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.3 t30 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.692 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' HB3' ' A' ' 28' ' ' ASP . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 35' ' ' VAL . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.879 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.758 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.758 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.852 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.713 ' N ' HD11 ' A' ' 53' ' ' ILE . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.535 ' C ' HD13 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.713 HD11 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD12 HG13 ' A' ' 69' ' ' VAL . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG22 ' CD ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.41 ' OG ' HG11 ' A' ' 17' ' ' VAL . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.42 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.42 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.889 HD12 HG21 ' A' ' 20' ' ' ILE . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.569 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.508 ' NE1' HG22 ' A' ' 103' ' ' THR . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.839 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.839 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 ' OG ' ' A' ' 68' ' ' SER . 83.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.967 HG11 ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.944 HG21 HD12 ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 94' ' ' ILE . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.727 ' CE2' HD21 ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.506 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 28' ' ' ASP . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 58' ' ' LEU . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.933 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.97 ' HG3' HD22 ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.933 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.656 ' OE2' HD23 ' A' ' 43' ' ' LEU . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.998 ' SG ' HG11 ' A' ' 69' ' ' VAL . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 56' ' ' LEU . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.97 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD21 ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG12 ' HD2' ' A' ' 59' ' ' PHE . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.565 ' OG ' HG11 ' A' ' 17' ' ' VAL . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.998 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.454 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.944 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.537 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 103' ' ' THR . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.909 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.909 ' CD2' HG21 ' A' ' 103' ' ' THR . 19.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.943 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.953 ' O ' HG22 ' A' ' 94' ' ' ILE . 6.1 t30 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 43' ' ' LEU . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.858 ' CE2' HD21 ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 35' ' ' VAL . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 24' ' ' PHE . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.045 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.669 ' HB2' HD22 ' A' ' 56' ' ' LEU . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.962 ' SG ' HG11 ' A' ' 69' ' ' VAL . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.785 ' N ' HD11 ' A' ' 53' ' ' ILE . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.785 HD11 ' N ' ' A' ' 48' ' ' SER . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.94 ' HE3' HD21 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 69' ' ' VAL . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.94 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.858 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.602 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.962 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.554 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.559 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 24.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.838 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' ILE . 9.7 t30 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.741 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.718 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.022 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.741 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 56' ' ' LEU . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.699 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.763 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.607 ' N ' HD11 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' N ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.787 ' HE2' HD21 ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.856 HD12 HG13 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.615 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HD2' ' A' ' 59' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.54 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.856 HG13 HD12 ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.54 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 20' ' ' ILE . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.533 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.613 ' NE1' HG22 ' A' ' 103' ' ' THR . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.613 HG22 ' NE1' ' A' ' 99' ' ' TRP . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.947 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' HG22 ' A' ' 66' ' ' VAL . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 HD12 ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.046 ' O ' HG13 ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.608 HD23 ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.666 ' HG3' HG21 ' A' ' 53' ' ' ILE . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.046 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.608 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.034 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.581 ' N ' HD11 ' A' ' 53' ' ' ILE . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.666 HG21 ' HG3' ' A' ' 44' ' ' ARG . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.856 ' HE2' HD21 ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.856 HD21 ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' HD2' HG12 ' A' ' 66' ' ' VAL . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' ND1' HG23 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 105' ' ' TYR . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.034 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.601 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.947 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 20' ' ' ILE . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.752 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.561 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.752 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.931 0.396 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD13 ' A' ' 19' ' ' ILE . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 66' ' ' VAL . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.841 ' HB3' HD13 ' A' ' 39' ' ' ILE . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 28' ' ' ASP . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 24' ' ' PHE . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HG2' HD23 ' A' ' 56' ' ' LEU . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.998 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.612 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.998 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.612 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.003 ' SG ' HG11 ' A' ' 69' ' ' VAL . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.757 ' N ' HD11 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.657 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.757 HD11 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 57' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.917 HD12 HG13 ' A' ' 69' ' ' VAL . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.709 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.6 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' HE2' ' A' ' 21' ' ' LYS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.003 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ALA . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 20' ' ' ILE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.499 HG23 HE22 ' A' ' 97' ' ' GLN . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.504 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.595 ' CE2' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.624 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.817 HG21 HD12 ' A' ' 94' ' ' ILE . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.5 t30 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.755 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 39' ' ' ILE . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 28' ' ' ASP . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 24' ' ' PHE . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 56' ' ' LEU . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.016 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.707 ' HB2' HD22 ' A' ' 56' ' ' LEU . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.66 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 69' ' ' VAL . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.74 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 53' ' ' ILE . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 36' ' ' LEU . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 59' ' ' PHE . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.583 ' CE1' HG13 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.425 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.543 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' SER . 93.2 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.964 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.982 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 94' ' ' ILE . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CB ' HD13 ' A' ' 39' ' ' ILE . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE3' ' N ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.856 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.932 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.959 ' CG ' HD22 ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.995 ' SG ' HG11 ' A' ' 69' ' ' VAL . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' C ' HD13 ' A' ' 53' ' ' ILE . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 47' ' ' CYS . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.748 ' HE3' HD21 ' A' ' 57' ' ' LEU . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.959 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.748 HD21 ' HE3' ' A' ' 55' ' ' LYS . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HD2' HG12 ' A' ' 66' ' ' VAL . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG12 ' HD2' ' A' ' 59' ' ' PHE . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.995 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HG11 ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.461 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.461 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.982 HD12 HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.52 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.605 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.605 HG22 ' NE1' ' A' ' 99' ' ' TRP . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.6 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.926 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.662 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.02 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' HB2' HD22 ' A' ' 56' ' ' LEU . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.675 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 69' ' ' VAL . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.604 ' N ' HD11 ' A' ' 53' ' ' ILE . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE3' HD21 ' A' ' 57' ' ' LEU . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD22 ' HB2' ' A' ' 44' ' ' ARG . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD21 ' HE3' ' A' ' 55' ' ' LYS . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CD2' HG21 ' A' ' 66' ' ' VAL . 2.1 t-80 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.485 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.793 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.926 HD12 HG21 ' A' ' 20' ' ' ILE . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.539 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.574 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.628 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.474 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.837 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.837 ' CD2' HG21 ' A' ' 103' ' ' THR . 26.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.478 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.838 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.763 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 28' ' ' ASP . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.639 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.02 ' SG ' HG11 ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.663 ' N ' HD11 ' A' ' 53' ' ' ILE . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' C ' HD13 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.884 ' HE3' HD21 ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.884 HD21 ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.02 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.519 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.838 HG22 ' O ' ' A' ' 22' ' ' ASN . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.55 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.712 HG21 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.712 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.9 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.742 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.76 ' CB ' HD13 ' A' ' 39' ' ' ILE . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.68 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 28' ' ' ASP . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.76 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.044 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.723 ' HB2' HD22 ' A' ' 56' ' ' LEU . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.044 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' OE2' HD23 ' A' ' 43' ' ' LEU . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.955 ' SG ' HG11 ' A' ' 69' ' ' VAL . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.632 ' N ' HD11 ' A' ' 53' ' ' ILE . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.538 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.407 HG12 ' HD2' ' A' ' 59' ' ' PHE . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.955 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 20' ' ' ILE . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CE2' HG22 ' A' ' 103' ' ' THR . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.012 HG11 ' SG ' ' A' ' 80' ' ' CYS . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.763 HG21 HD12 ' A' ' 94' ' ' ILE . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.784 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' ' 28' ' ' ASP . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.496 HD12 HG12 ' A' ' 35' ' ' VAL . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.784 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.694 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' HD11 ' A' ' 53' ' ' ILE . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' C ' HD13 ' A' ' 53' ' ' ILE . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 59' ' ' PHE . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 1.012 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.9 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.509 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.653 ' NE1' HG22 ' A' ' 103' ' ' THR . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.833 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.849 HG21 HD12 ' A' ' 94' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 94' ' ' ILE . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.756 ' HB3' HG11 ' A' ' 35' ' ' VAL . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 28' ' ' ASP . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 24' ' ' PHE . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 56' ' ' LEU . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.927 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 1.03 ' HG3' HD22 ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.757 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HG11 ' A' ' 69' ' ' VAL . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.633 ' N ' HD11 ' A' ' 53' ' ' ILE . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' O ' HD13 ' A' ' 53' ' ' ILE . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.633 HD11 ' N ' ' A' ' 48' ' ' SER . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.03 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' HG21 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.594 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.78 HG11 ' SG ' ' A' ' 47' ' ' CYS . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.687 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 80' ' ' CYS . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.446 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.496 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 94' ' ' ILE . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.849 HD12 HG21 ' A' ' 20' ' ' ILE . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.557 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.572 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.521 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.521 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.827 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.827 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.1 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -173.21 158.58 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -59.39 167.58 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.61 -137.56 8.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m -80.65 79.87 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -76.77 85.02 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.95 16.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.5 -98.33 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.72 60.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.291 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 m -133.19 53.77 2.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 160.42 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 16.5 ptp -102.34 139.45 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.6 77.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 12' ' ' MET . 2.5 p80 -172.32 163.36 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.55 130.88 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.16 35.68 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -135.85 149.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -130.46 149.55 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.403 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 14.3 mm -114.78 152.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.88 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -131.05 141.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.4 mptm? -123.77 158.54 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.8 t30 49.58 51.57 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.1 ptm -120.35 -27.14 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.772 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.0 p90 -155.75 178.6 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 11.3 t-80 -146.1 140.17 15.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.79 5.38 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -20.22 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.871 ' HB3' HG11 ' A' ' 35' ' ' VAL . 16.7 m-20 -80.12 -27.94 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 3.2 m-85 -76.77 -26.4 54.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.31 -28.42 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -87.31 -37.88 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.16 140.56 7.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.77 -39.08 6.92 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -36.3 -49.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 28' ' ' ASP . 57.4 t -43.81 -57.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.9 tp -65.38 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -60.56 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.02 -42.1 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 HG12 ' A' ' 35' ' ' VAL . 70.1 mt -61.08 -58.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -51.51 -59.7 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -54.31 -35.75 62.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.8 m-20 -61.27 -42.07 98.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 56' ' ' LEU . 10.1 mt -65.45 -31.41 72.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 56' ' ' LEU . 10.5 mtp180 -77.67 -34.66 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -81.89 -25.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.7 pt-20 -76.43 -46.96 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.971 ' SG ' HG11 ' A' ' 69' ' ' VAL . 93.4 m -69.92 -17.8 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 p -74.8 -32.42 61.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -41.18 -35.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.58 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -91.06 -33.52 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.2 -113.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.581 ' C ' HD13 ' A' ' 53' ' ' ILE . 68.8 mt-30 -132.26 171.13 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -111.78 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.2 mmm180 -50.82 -37.5 43.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.767 ' CE ' HD21 ' A' ' 57' ' ' LEU . 21.1 tttt -170.02 149.15 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 69' ' ' VAL . 2.3 tp -132.19 141.21 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD21 ' CE ' ' A' ' 55' ' ' LYS . 14.0 mt -143.37 109.07 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.772 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -95.89 118.58 32.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 8.5 m-30 -85.07 85.24 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 7.6 p-10 -79.49 43.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -130.67 -33.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -77.14 124.97 87.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.3 Cg_endo -69.8 3.13 2.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -114.12 19.79 16.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.0 97.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 59' ' ' PHE . 66.7 t -128.15 126.44 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.29 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -122.92 114.48 20.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -109.25 110.74 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 t -80.71 147.48 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 45.8 m-85 -127.75 156.31 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 18.1 tpt180 -84.69 -43.6 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 12.6 p-10 -113.98 141.16 25.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -25.04 28.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.3 -40.77 96.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.65 -65.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.74 -60.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.59 -32.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -91.51 -24.0 19.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 35.5 m -80.8 -20.55 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -77.57 -24.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.06 -22.86 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -96.14 -21.97 17.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.41 -8.22 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -70.83 -3.85 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.6 8.38 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -63.27 163.58 10.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.9 m95 -126.76 120.2 28.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -121.61 137.91 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.75 3.77 8.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.63 -15.48 24.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' PHE . 5.9 ptp85 -109.34 158.44 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.309 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.1 tt0 -76.63 160.3 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 20' ' ' ILE . 1.8 pt -138.29 158.4 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.5 t -111.53 155.86 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.39 153.33 48.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.52 163.8 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.17 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.6 t90 -86.5 158.73 19.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -117.14 -68.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.81 49.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -36.48 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.587 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.5 t -57.12 149.69 18.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.26 32.37 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 23.0 m-85 -58.16 -71.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -91.94 -36.2 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -48.9 161.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.55 -178.28 15.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 t -95.24 58.84 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -158.51 163.19 37.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -165.16 112.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -54.8 -51.35 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.93 -173.87 54.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -40.37 117.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -100.33 -43.14 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 43.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.05 122.41 7.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -10.15 27.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.6 p -107.34 126.15 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -167.54 159.4 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.4 mtp -75.52 113.7 13.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -119.68 78.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -165.0 148.02 8.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -121.44 115.47 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 25.6 mmm180 -113.97 80.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 70' ' ' SER . 58.8 t -119.43 137.05 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.7 m -111.95 143.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.6 mm -105.01 148.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -130.63 136.23 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 66' ' ' VAL . 25.2 mmtm -120.43 154.32 35.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.703 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.6 t30 59.98 51.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.691 ' SD ' HD11 ' A' ' 43' ' ' LEU . 7.5 ptm -125.13 -23.71 4.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 17.5 p90 -158.64 177.06 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 t-80 -146.75 138.86 13.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -97.71 -29.92 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.7 m-20 -70.65 -35.7 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 3.5 m-85 -66.31 -26.06 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -68.54 -20.1 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.48 139.26 5.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.8 -39.32 6.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -36.7 -48.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 39' ' ' ILE . 71.3 t -43.86 -56.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 13.9 tp -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -60.94 -63.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.22 -42.41 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 35' ' ' VAL . 62.1 mt -61.39 -54.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -52.99 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -55.21 -36.09 65.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.6 m-20 -59.23 -44.09 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.691 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -67.1 -28.81 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.58 ' HG3' HG21 ' A' ' 53' ' ' ILE . 35.3 ttt180 -80.43 -28.3 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -90.0 -22.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.691 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -82.28 -42.31 19.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.948 ' SG ' HG11 ' A' ' 69' ' ' VAL . 59.6 m -76.39 -16.2 59.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 53' ' ' ILE . 12.2 t -81.68 -27.8 33.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.76 -43.58 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 2.2 m-85 -78.6 -31.93 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.64 -107.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' C ' HD13 ' A' ' 53' ' ' ILE . 44.5 mt-30 -135.19 179.4 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.658 HD11 ' N ' ' A' ' 48' ' ' SER . 4.3 mm -118.56 93.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.0 mmm-85 -54.13 -36.47 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HE3' HD21 ' A' ' 57' ' ' LEU . 32.7 tttp -169.79 148.55 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 69' ' ' VAL . 1.5 tp -135.59 134.39 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD21 ' HE3' ' A' ' 55' ' ' LYS . 15.4 mt -141.52 114.45 8.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.06 117.45 32.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.5 m-30 -81.69 91.11 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 p-10 -81.54 35.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 8.4 mmt180 -124.62 -42.4 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.5 122.67 84.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.76 1.54 4.35 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 22.55 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.44 95.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' HD2' ' A' ' 21' ' ' LYS . 97.9 t -127.32 127.21 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.79 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.49 ' OG ' HG11 ' A' ' 17' ' ' VAL . 4.2 t -121.51 109.77 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.948 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -107.37 106.06 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.649 ' HA ' HG22 ' A' ' 17' ' ' VAL . 9.1 t -78.48 150.89 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 18' ' ' VAL . 65.9 m-85 -130.65 162.28 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 4.2 tpp85 -93.59 -49.58 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -99.98 136.51 20.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.25 35.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -78.09 -39.41 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -72.45 -52.91 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -48.99 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.89 -30.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -86.95 -29.68 21.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.7 t -75.45 -10.99 59.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.62 -25.51 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.32 -26.06 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -88.93 -27.15 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.713 HD11 ' SG ' ' A' ' 80' ' ' CYS . 92.5 mt -92.89 -6.83 47.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -66.92 -7.84 25.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.78 10.06 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.4 mmp_? -60.97 165.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.15 119.89 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.7 m-85 -123.08 138.84 54.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.64 3.95 8.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.45 -15.65 24.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -109.47 162.08 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.4 tt0 -77.63 162.1 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.868 HD12 HG21 ' A' ' 20' ' ' ILE . 1.3 pt -140.71 150.18 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.0 t -103.66 159.18 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -135.27 153.69 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.557 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.22 161.87 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.71 133.05 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.649 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -92.6 166.16 12.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 99' ' ' TRP . 9.0 m-20 -123.0 -74.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 159.77 54.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -134.54 -37.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.649 HG22 ' NE1' ' A' ' 99' ' ' TRP . 5.7 t -56.23 147.24 21.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -105.88 26.06 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.3 m-85 -51.16 -70.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.529 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -98.72 -34.81 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 t -45.57 159.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.33 83.58 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.72 28.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p -113.32 85.23 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 166.28 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -125.09 -54.95 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -81.57 143.91 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.94 127.15 32.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -48.2 -58.21 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -164.86 149.75 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 179.09 52.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.15 -103.72 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.28 7.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.14 121.49 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -126.44 48.21 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.469 ' HE2' ' NE2' ' A' ' 14' ' ' HIS . 45.8 mmm -89.66 110.07 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -103.94 98.84 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' NE2' ' HE2' ' A' ' 12' ' ' MET . 20.0 m80 -90.95 44.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.3 44.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 24.8 mmt180 -118.8 58.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.63 135.07 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.2 m -113.38 144.46 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -106.49 152.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 94' ' ' ILE . 3.8 mm -131.9 132.4 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HE2' HG22 ' A' ' 66' ' ' VAL . 17.7 mmtp -116.51 150.85 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.605 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.5 t30 58.13 51.16 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.783 ' SD ' HD11 ' A' ' 43' ' ' LEU . 9.2 ptm -122.36 -19.41 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 58' ' ' LEU . 7.8 p90 -163.93 173.76 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.8 t-80 -142.61 140.35 18.51 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.78 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.42 -29.27 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.854 ' HB3' HG11 ' A' ' 35' ' ' VAL . 11.1 m-20 -71.47 -35.02 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -69.46 -26.64 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -69.19 -28.2 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -36.65 16.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -160.99 140.61 7.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.8 -39.27 6.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -37.38 -49.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.854 HG11 ' HB3' ' A' ' 28' ' ' ASP . 80.8 t -43.72 -57.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD11 HD22 ' A' ' 58' ' ' LEU . 10.7 tp -65.21 -34.11 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.77 -63.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.19 -44.35 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 24' ' ' PHE . 72.3 mt -61.38 -52.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 58' ' ' LEU . 19.9 ttm180 -53.19 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.974 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -54.25 -37.07 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.46 -43.11 88.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -69.36 -26.32 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.549 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.8 ttt-85 -84.2 -25.03 29.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -93.44 -24.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.633 ' OE2' HD23 ' A' ' 43' ' ' LEU . 10.5 pt-20 -78.37 -45.12 23.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.866 ' SG ' HG11 ' A' ' 69' ' ' VAL . 66.7 m -71.27 -15.18 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.642 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.1 m -83.21 -29.72 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -40.63 -39.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -86.99 -30.09 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -166.06 -106.27 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' HD13 ' A' ' 53' ' ' ILE . 90.3 mt-30 -141.93 174.69 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -115.28 104.08 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 14.6 mmm180 -59.89 -33.44 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 3.5 tmtm? -169.34 146.67 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 2.1 tp -132.36 128.74 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' CD2' ' HE3' ' A' ' 55' ' ' LYS . 74.3 mt -134.85 113.14 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.4 tt -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.7 m-30 -82.28 92.91 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 7.9 p-10 -81.96 36.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 6.6 mmt180 -124.79 -42.87 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.09 120.05 66.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.76 6.17 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 1.7 m-20 -117.24 15.86 14.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.589 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 55.76 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' HE2' ' A' ' 21' ' ' LYS . 91.4 t -129.68 124.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.31 153.27 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 t -124.07 103.61 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.4 t -102.25 102.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 t -77.86 142.64 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 28.2 m-85 -120.2 168.28 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.5 tpt180 -95.19 -46.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.5 141.73 24.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.76 -38.01 8.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.57 -49.01 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.18 -61.45 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -43.96 -64.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -42.98 -23.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.7 t80 -97.04 -27.27 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 77' ' ' ALA . 71.4 m -78.31 -27.7 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -76.45 -22.67 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -90.92 -24.14 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -96.27 -21.66 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.3 mt -94.45 -7.4 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -71.05 -7.51 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -121.63 0.55 11.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 14.2 mmt180 -57.21 164.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 56.5 m95 -126.42 124.87 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.8 m-85 -124.87 139.45 53.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.51 6.55 8.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.42 -19.4 24.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -104.75 168.35 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -85.1 158.28 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 20' ' ' ILE . 4.4 pt -135.85 152.9 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -110.12 155.23 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.5 152.86 49.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.533 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.85 160.62 17.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.59 132.4 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 15.9 t90 -87.13 160.43 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -118.5 -55.01 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 137.41 51.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -130.6 -34.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.696 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -57.38 151.65 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.64 43.21 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.696 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.0 m-85 -69.85 -64.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -26.91 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 p -44.74 147.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.14 153.4 42.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -166.16 131.86 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.6 t -116.61 102.14 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -129.21 175.73 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -68.97 172.66 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.85 103.3 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -126.42 128.91 47.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.1 m -67.63 -46.57 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.71 143.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.04 72.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -41.78 3.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -68.18 153.12 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -73.37 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 26.2 mmt -85.94 132.55 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 ptt-85 -77.91 -2.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 15.9 p-80 -105.81 117.22 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' HIS . 1.6 pm0 -36.34 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.96 17.9 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 16' ' ' ARG . 60.7 t -120.68 133.67 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.4 m -112.26 148.48 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.3 mm -112.8 151.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.938 HG21 HD12 ' A' ' 94' ' ' ILE . 3.0 mm -135.18 141.39 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.14 151.83 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.929 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 58.16 54.98 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.629 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -121.0 -25.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.723 ' CB ' HD13 ' A' ' 39' ' ' ILE . 30.2 p90 -150.04 -177.23 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 5.6 t-80 -148.65 140.65 14.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.1 Cg_endo -69.75 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.3 mmt -57.96 -11.58 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 35' ' ' VAL . 14.6 m-20 -85.82 -40.87 15.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 7.1 m-85 -65.2 -26.87 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.69 -25.83 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.07 -31.48 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -168.01 137.68 2.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.6 Cg_endo -69.72 -37.41 9.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.04 -47.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 28' ' ' ASP . 52.0 t -44.5 -56.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 58' ' ' LEU . 18.0 tp -65.73 -34.29 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -61.15 -62.1 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.38 -42.12 77.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.723 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.2 mt -61.6 -55.41 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.02 -60.37 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.041 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.13 -43.6 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.671 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.8 mt -68.3 -26.79 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.8 ttt180 -82.03 -31.06 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.041 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -85.87 -27.7 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.671 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.5 pt-20 -75.61 -45.45 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 69' ' ' VAL . 85.2 m -72.68 -18.36 61.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.622 ' N ' HD11 ' A' ' 53' ' ' ILE . 48.1 t -78.69 -27.96 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -47.84 -40.58 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.9 m-85 -82.47 -32.19 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.46 -103.74 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -145.45 176.11 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -118.75 96.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -62.7 -32.23 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.67 140.78 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD12 HG13 ' A' ' 69' ' ' VAL . 2.6 tp -135.22 130.68 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.5 mt -133.72 124.95 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.8 tt -107.3 112.49 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.4 m-30 -86.36 66.9 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 3.4 p-10 -50.89 -22.73 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -59.51 -59.52 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.8 117.96 12.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.08 2.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -108.62 22.18 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.67 76.58 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.85 127.69 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.6 142.3 45.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 t -111.49 110.78 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.0 t -104.69 107.35 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 m -80.52 142.73 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.08 -176.14 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -115.95 -54.22 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.41 149.76 37.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -40.53 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -55.32 -60.09 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' CYS . 48.6 tt0 -42.86 -61.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -55.93 -62.78 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -46.0 -30.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.0 t80 -94.15 -22.18 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.582 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 59.9 m -80.36 -24.06 40.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -75.86 -24.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -91.04 -24.3 20.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -94.72 -24.22 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 95.6 mt -94.25 -8.1 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -69.62 -6.53 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.419 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.19 5.16 7.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.9 mmt180 -59.87 162.33 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.3 m95 -125.17 125.73 44.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -125.67 139.18 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.85 6.22 8.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -18.11 25.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -105.49 168.1 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -86.43 160.0 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.938 HD12 HG21 ' A' ' 20' ' ' ILE . 40.6 pt -136.32 162.46 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 t -116.24 153.55 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -128.66 149.95 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.552 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.12 159.93 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.714 ' NE1' HG22 ' A' ' 103' ' ' THR . 19.6 t90 -84.8 159.73 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -114.46 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.552 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.35 37.74 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -111.66 -43.18 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.714 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.5 t -58.5 152.75 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.23 24.74 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.616 ' CD2' HG21 ' A' ' 103' ' ' THR . 24.3 m-85 -54.56 -47.98 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -104.19 -41.79 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' GLN . 3.4 p -36.25 146.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.17 146.11 22.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 124.31 10.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -164.68 126.19 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -114.5 175.78 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -100.54 -43.71 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 48.38 42.33 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 157.46 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -71.42 132.96 45.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -47.3 172.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.79 146.73 25.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 103.65 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.7 31.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.8 p -48.59 173.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -104.37 138.77 40.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.547 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 4.9 mmt -54.85 159.92 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -128.58 76.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 1.8 p-80 -173.36 171.15 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.61 114.32 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -131.4 22.82 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.5 t -121.1 144.26 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.2 m -122.86 150.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 18' ' ' VAL . 14.0 mm -116.2 151.12 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.879 HG21 HD12 ' A' ' 94' ' ' ILE . 3.2 mm -133.51 143.68 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.6 mmtp -124.13 156.02 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.689 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.8 t30 50.81 55.0 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.655 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -121.84 -20.74 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.694 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.7 p90 -158.89 172.79 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.7 t-80 -143.9 141.41 18.53 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.7 -45.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -58.34 -11.48 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.69 -38.44 15.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.3 m-85 -66.97 -23.39 65.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.99 -15.87 63.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 -32.1 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -168.2 138.81 2.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.26 9.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -38.23 -48.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 39' ' ' ILE . 91.6 t -43.59 -57.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.2 tp -65.48 -35.11 79.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -60.55 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 24' ' ' PHE . 71.8 mt -60.62 -54.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -53.23 -59.53 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.96 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.9 pt-20 -55.04 -35.48 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 3.3 m-20 -59.68 -43.64 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.2 mt -67.42 -27.76 67.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HB2' HD22 ' A' ' 56' ' ' LEU . 6.5 ttt-85 -81.64 -30.11 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.42 -23.51 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.719 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -80.36 -44.28 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.819 ' SG ' HG11 ' A' ' 69' ' ' VAL . 65.9 m -72.82 -19.46 61.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.734 ' N ' HD11 ' A' ' 53' ' ' ILE . 44.8 t -77.95 -31.91 51.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -40.53 -47.89 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.6 m-85 -73.88 -29.06 61.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -169.64 -98.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -144.65 -178.16 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.734 HD11 ' N ' ' A' ' 48' ' ' SER . 5.2 mm -121.62 100.79 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.4 mmt-85 -61.48 -33.35 73.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -168.74 141.26 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.882 HD12 HG13 ' A' ' 69' ' ' VAL . 2.4 tp -130.14 133.23 46.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 70.8 mt -140.94 121.91 14.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.1 tt -104.53 113.59 27.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 106' ' ' GLN . 9.9 m-85 -82.8 66.38 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 p-10 -51.3 -17.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -65.35 -51.06 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.95 125.15 79.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.75 -27.62 26.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 21.25 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.45 92.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.8 t -123.4 131.76 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.5 148.98 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -120.11 106.95 12.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.882 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -103.86 113.81 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -83.25 149.35 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.6 m-85 -131.48 162.39 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.1 tpt180 -93.91 -45.26 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.46 139.31 20.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -27.96 25.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -64.84 -50.05 68.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -65.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -47.13 -60.27 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.99 -26.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.2 t80 -96.24 -22.02 17.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 53.0 m -80.39 -30.35 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.5 pp -72.9 -22.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.9 pt20 -91.06 -23.96 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 m -98.31 -21.93 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 86.3 mt -94.63 -7.22 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -8.56 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.07 -3.3 12.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mmp_? -50.81 161.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 55.4 m95 -125.14 125.59 43.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.3 m-85 -125.48 139.95 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.02 5.91 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.56 24.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -105.76 168.12 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.1 tt0 -83.23 161.1 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.879 HD12 HG21 ' A' ' 20' ' ' ILE . 6.7 pt -139.29 155.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 20' ' ' ILE . 8.8 t -110.37 156.16 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.84 153.39 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.553 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.63 159.87 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.47 137.27 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.563 ' NE1' HG22 ' A' ' 103' ' ' THR . 22.2 t90 -93.23 151.69 19.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.8 -65.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 149.46 49.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.93 -29.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.664 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -67.98 148.37 51.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.81 35.82 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.5 m-85 -61.48 -62.87 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -98.18 -32.66 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 29.3 t -80.99 154.98 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -120.6 147.68 17.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 135.48 30.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.8 p -123.67 135.31 53.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.9 t -127.58 141.92 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -117.89 41.96 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -115.7 146.67 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.04 -148.84 22.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.435 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -98.77 153.59 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -95.1 134.31 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.08 36.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.02 -152.9 22.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.68 60.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.216 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -53.32 131.27 37.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -49.35 152.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.455 ' CB ' ' NE2' ' A' ' 14' ' ' HIS . 1.8 mpp? -80.41 171.08 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -106.25 71.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.455 ' NE2' ' CB ' ' A' ' 12' ' ' MET . 0.5 OUTLIER -165.33 178.73 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -119.55 113.02 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -124.89 80.06 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t -135.7 126.43 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.0 m -95.36 147.08 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.418 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 17.4 mm -112.28 151.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.919 HG21 HD12 ' A' ' 94' ' ' ILE . 2.7 mm -134.19 141.51 43.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -119.99 156.77 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.881 ' O ' HG22 ' A' ' 94' ' ' ILE . 7.6 t30 50.94 54.97 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.829 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.0 ptm -122.96 -13.69 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 58' ' ' LEU . 15.6 p90 -165.04 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.549 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 t-80 -147.02 141.06 15.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.71 -47.17 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.84 -10.08 3.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -87.2 -39.85 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 4.6 m-85 -65.71 -26.73 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.3 -15.31 56.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -96.79 -28.89 14.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -172.23 140.64 1.09 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.41 9.24 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -39.3 -48.48 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -43.29 -57.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.8 tp -65.26 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -61.13 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.93 -41.74 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 24' ' ' PHE . 68.0 mt -62.33 -56.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -52.07 -59.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.013 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.3 pt-20 -55.2 -37.33 66.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 45' ' ' VAL . 11.4 m-20 -57.42 -45.52 84.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.829 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 mt -65.19 -29.96 70.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.759 ' HB2' HD22 ' A' ' 56' ' ' LEU . 28.4 ttt180 -78.61 -30.9 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -87.07 -23.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.615 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -78.4 -47.02 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.005 ' SG ' HG11 ' A' ' 69' ' ' VAL . 92.8 m -71.82 -17.05 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.601 ' N ' HD11 ' A' ' 53' ' ' ILE . 31.4 t -77.87 -28.74 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -45.73 -43.03 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CB ' ' HG ' ' A' ' 80' ' ' CYS . 2.5 m-85 -79.92 -32.01 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.55 -104.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' HD13 ' A' ' 53' ' ' ILE . 34.2 mt-30 -141.13 -179.26 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.2 mm -121.96 98.87 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 12.2 mmp_? -63.68 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -164.54 136.05 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -134.48 124.7 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.1 mt -135.97 133.33 37.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.6 tt -108.73 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' HD2' HG12 ' A' ' 66' ' ' VAL . 7.4 m-85 -88.74 71.7 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -49.85 -36.93 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -46.35 -59.51 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -51.14 117.84 9.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -13.58 34.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.56 28.02 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 43.57 88.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 105' ' ' TYR . 94.7 t -122.93 130.44 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.93 168.4 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 63.1 p -134.16 113.68 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.005 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.6 t -115.05 106.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -77.37 150.47 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 49.1 m-85 -131.13 142.89 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 10.8 tpp180 -80.1 -59.36 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.73 134.79 41.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.44 24.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.24 -39.23 89.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' CYS . 37.6 mm-40 -71.0 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 71' ' ' PHE . . . -42.28 -64.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.5 -22.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.9 t80 -98.56 -20.1 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HG ' ' CB ' ' A' ' 50' ' ' PHE . 57.4 m -82.44 -25.84 33.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.8 pp -78.39 -21.29 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.49 -25.25 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.4 m -94.18 -23.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 64.4 mt -94.43 -7.36 41.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.08 -6.54 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.1 0.99 9.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.2 mmp_? -52.58 163.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 60.6 m95 -127.36 123.83 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.04 139.25 54.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.62 6.32 8.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.44 -19.19 24.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 165.87 10.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 9.2 tt0 -83.94 160.33 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 20' ' ' ILE . 16.9 pt -137.73 154.94 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -108.96 154.64 21.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.99 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -165.57 162.36 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.04 124.19 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.742 ' CZ2' HG22 ' A' ' 103' ' ' THR . 23.7 t90 -77.78 161.69 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -110.13 -72.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.563 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 154.44 52.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -31.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.101 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.825 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -60.02 155.72 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' TYR . 42.0 m-20 -116.09 25.96 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.825 ' CD2' HG21 ' A' ' 103' ' ' THR . 18.7 m-85 -37.15 -64.72 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 -1.11 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 t -116.25 160.16 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.96 177.12 29.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.33 21.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -84.36 -57.75 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 59.89 26.31 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -167.41 135.42 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -87.23 17.0 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 36.72 84.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -129.25 123.88 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -40.41 -57.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.58 64.41 3.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 43.64 78.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -26.14 27.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -86.61 150.2 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.31 174.59 10.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 14' ' ' HIS . 61.3 mtm -127.12 158.28 37.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.46 41.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 12' ' ' MET . 60.0 m170 -91.73 -177.13 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -127.71 44.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.54 68.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.99 132.03 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' C ' HD13 ' A' ' 19' ' ' ILE . 2.2 m -99.44 146.88 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' C ' ' A' ' 18' ' ' VAL . 11.6 mm -112.79 152.01 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.92 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -132.41 140.26 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' ' 66' ' ' VAL . 16.0 mmtp -123.15 148.71 45.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 94' ' ' ILE . 4.9 t30 58.31 54.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.658 ' SD ' HD11 ' A' ' 43' ' ' LEU . 6.2 ptm -122.14 -22.17 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 58' ' ' LEU . 20.6 p90 -157.33 178.25 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.4 t-80 -151.07 141.45 14.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 tpt -77.33 -26.09 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CB ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -76.64 -37.61 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.8 m-85 -65.39 -26.62 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.94 -18.44 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -98.7 -25.99 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -174.18 137.8 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -36.8 10.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.1 mm? -39.22 -46.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 39' ' ' ILE . 60.2 t -45.1 -56.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.6 tp -66.01 -33.57 76.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.81 -61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.96 -43.59 77.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG23 ' HD2' ' A' ' 89' ' ' PHE . 59.9 mt -61.61 -53.81 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -52.86 -60.42 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.035 ' O ' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -55.45 -35.84 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 8.5 m-20 -59.22 -42.38 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.6 mt -69.13 -27.95 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.703 ' HB2' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -82.05 -27.11 33.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.0 m -90.73 -25.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.638 ' OE2' HD23 ' A' ' 43' ' ' LEU . 11.6 pt-20 -76.8 -44.91 30.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HG11 ' A' ' 69' ' ' VAL . 33.0 m -72.77 -17.69 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.655 ' N ' HD11 ' A' ' 53' ' ' ILE . 37.2 t -82.2 -29.19 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -44.22 -43.51 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -83.24 -24.88 32.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.64 -107.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 45.2 mt-30 -143.1 178.23 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 47' ' ' CYS . 5.1 mm -119.35 102.27 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 11.7 mmm180 -62.55 -29.86 70.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.753 ' HE2' HD21 ' A' ' 57' ' ' LEU . 15.6 tptm -169.1 140.18 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 69' ' ' VAL . 3.5 tp -130.07 132.66 46.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.753 HD21 ' HE2' ' A' ' 55' ' ' LYS . 16.1 mt -143.52 119.62 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.1 tt -100.69 115.33 29.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 106' ' ' GLN . 5.5 m-30 -82.83 63.9 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -49.74 -25.25 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -55.32 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -52.94 121.29 22.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.0 Cg_endo -69.8 -11.61 31.14 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.24 28.27 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.98 93.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.558 HG22 ' HE2' ' A' ' 21' ' ' LYS . 73.1 t -125.14 130.73 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -133.85 148.61 51.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -124.0 107.75 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 56' ' ' LEU . 2.2 t -104.7 113.91 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 5.7 t -78.17 148.24 34.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.66 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 23.0 m-85 -129.0 149.91 50.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.509 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 8.6 tpt180 -85.1 -49.5 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.85 144.15 28.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -36.11 11.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -51.75 -58.18 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 80' ' ' CYS . 10.8 mp0 -57.74 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.66 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . . . -47.26 -63.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -49.23 -22.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.9 t80 -97.15 -21.59 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 62.1 m -82.65 -27.98 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -70.08 -23.68 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.93 -27.51 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -93.35 -25.07 17.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 87' ' ' ARG . 95.8 mt -91.6 -6.77 51.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -7.85 31.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.54 2.53 10.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.9 mmp_? -54.2 163.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.9 m95 -127.67 124.52 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -124.72 139.29 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.57 6.17 8.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.11 -20.08 22.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -103.67 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.8 tt0 -82.76 161.69 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.92 HD12 HG21 ' A' ' 20' ' ' ILE . 3.5 pt -140.6 152.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.5 t -106.18 156.99 17.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -132.01 153.19 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.16 164.25 15.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.98 124.36 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 103' ' ' THR . 23.9 t90 -77.5 160.37 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.12 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.523 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.59 53.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.8 t -131.6 -40.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.167 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 99' ' ' TRP . 4.2 t -57.67 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.03 24.77 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 103' ' ' THR . 27.3 m-85 -49.35 -59.06 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -106.41 -37.26 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -46.68 151.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -97.04 -157.83 31.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.69 12.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -147.86 150.99 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -139.53 134.52 32.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.516 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -134.72 121.46 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -104.23 88.04 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.53 -116.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -53.48 -43.94 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -86.59 91.23 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 40.55 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.37 -169.87 17.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 98.57 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -120.33 146.29 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -99.5 123.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.416 ' HB3' ' NE2' ' A' ' 14' ' ' HIS . 3.3 mpp? -88.03 121.9 30.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -94.53 74.57 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 12' ' ' MET . 2.3 p80 -164.66 159.36 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -117.31 108.88 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 74' ' ' PRO . 32.0 mmt180 -133.54 88.39 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG11 ' OG ' ' A' ' 68' ' ' SER . 48.6 t -140.87 137.12 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -108.72 141.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 10.4 mm -105.66 144.95 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.889 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.63 140.66 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' HG22 ' A' ' 66' ' ' VAL . 11.2 mmtp -122.05 156.56 33.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.808 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.3 t30 52.95 54.59 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.5 ptm -124.96 -17.21 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.7 p90 -166.87 163.86 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -132.7 139.96 36.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.76 -13.75 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.692 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.1 m-20 -86.37 -35.43 19.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 4.6 m-85 -68.33 -25.66 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -29.72 67.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -86.01 -29.12 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -170.7 140.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.47 9.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.22 -47.72 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' HB3' ' A' ' 28' ' ' ASP . 58.5 t -44.65 -57.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.7 tp -65.57 -33.5 76.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.86 -62.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.86 -43.88 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 35' ' ' VAL . 55.0 mt -61.5 -54.35 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.72 -60.96 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.879 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.7 pt-20 -53.54 -36.25 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.01 -44.91 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.758 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -66.48 -26.51 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' HB ' ' A' ' 53' ' ' ILE . 38.3 ttt85 -82.27 -31.36 30.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.6 m -87.41 -25.5 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.758 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.6 pt-20 -77.86 -46.49 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.852 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.8 m -70.32 -19.1 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.713 ' N ' HD11 ' A' ' 53' ' ' ILE . 40.1 t -77.58 -34.71 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -37.57 -46.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.5 m-85 -76.18 -33.22 59.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.42 -105.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.535 ' C ' HD13 ' A' ' 53' ' ' ILE . 69.1 mt-30 -137.65 179.48 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.713 HD11 ' N ' ' A' ' 48' ' ' SER . 5.4 mm -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 1.4 mmt180 -54.73 -36.53 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.86 149.15 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD12 HG13 ' A' ' 69' ' ' VAL . 1.4 tp -133.88 138.97 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 46.7 mt -141.35 111.82 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.3 tt -99.21 111.77 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 5.7 m-85 -79.79 91.66 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.6 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -128.04 -38.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -67.52 121.54 79.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.4 Cg_endo -69.75 4.17 2.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -118.94 17.75 13.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.96 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG22 ' CD ' ' A' ' 21' ' ' LYS . 61.5 t -128.31 124.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 151.13 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.41 ' OG ' HG11 ' A' ' 17' ' ' VAL . 1.3 t -121.66 109.81 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 56' ' ' LEU . 2.8 t -104.02 108.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.7 t -78.01 146.96 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 73.3 m-85 -129.98 154.06 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 tpt180 -81.92 -52.06 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.87 146.73 34.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 16' ' ' ARG . 53.8 Cg_endo -69.76 -35.21 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.03 -49.2 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.28 -62.85 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -50.8 -60.88 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -44.57 -30.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 6.6 t80 -92.38 -25.09 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 84.8 m -78.27 -22.36 48.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.76 -25.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.89 -23.59 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -95.18 -23.75 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.61 -10.01 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -66.61 -6.18 14.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.42 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.1 0.89 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.79 164.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -128.07 119.24 24.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.4 m-85 -123.71 138.2 54.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.88 2.93 8.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.24 28.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -115.93 156.21 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.42 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 9.6 tt0 -73.32 158.89 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.889 HD12 HG21 ' A' ' 20' ' ' ILE . 10.9 pt -135.66 151.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.9 t -108.2 152.07 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.46 151.35 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.569 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.14 159.41 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.04 131.14 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.508 ' NE1' HG22 ' A' ' 103' ' ' THR . 21.4 t90 -87.24 157.97 19.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -113.78 -64.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.75 55.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -133.82 -33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.839 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.6 t -60.12 151.61 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.5 29.06 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.839 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.0 m-85 -51.28 -67.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -31.54 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 t -85.81 116.74 24.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.97 146.02 4.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.56 3.32 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -81.55 83.82 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -54.08 103.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t 44.72 42.05 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -44.7 168.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.98 108.97 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -80.52 -55.82 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.21 108.55 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 57.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.63 140.65 7.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.44 34.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -85.82 161.15 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -62.5 149.69 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -75.39 -179.65 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -89.52 26.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -87.3 -177.89 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -121.28 34.87 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 66.62 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 ' OG ' ' A' ' 68' ' ' SER . 83.4 t -139.28 129.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.967 HG11 ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -104.75 144.14 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.5 mm -107.0 152.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.944 HG21 HD12 ' A' ' 94' ' ' ILE . 3.3 mm -131.49 139.25 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.6 OUTLIER -122.01 153.73 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.781 ' O ' HG22 ' A' ' 94' ' ' ILE . 11.9 t30 56.41 54.7 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 10.7 ptm -126.44 -21.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.727 ' CE2' HD21 ' A' ' 58' ' ' LEU . 12.1 p90 -162.51 175.24 11.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -144.55 138.92 15.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.506 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.9 Cg_endo -69.79 3.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -98.64 -18.39 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 35' ' ' VAL . 1.8 m-20 -82.89 -35.77 25.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 2.1 m-85 -68.16 -25.6 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.84 -17.14 63.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -100.38 -33.17 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -164.88 139.49 4.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.71 -39.87 6.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.3 -46.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 28' ' ' ASP . 62.6 t -46.19 -57.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 58' ' ' LEU . 13.8 tp -65.09 -32.28 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -62.91 -61.44 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.62 -43.11 79.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.83 -54.86 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -53.26 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.933 ' O ' HG13 ' A' ' 45' ' ' VAL . 6.0 pt-20 -53.76 -37.57 63.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.7 m-20 -59.28 -41.18 88.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.6 mt -65.38 -34.74 79.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.97 ' HG3' HD22 ' A' ' 56' ' ' LEU . 48.6 mtm180 -73.56 -35.92 65.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.933 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.31 -23.94 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.656 ' OE2' HD23 ' A' ' 43' ' ' LEU . 5.8 pt-20 -82.54 -45.35 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.998 ' SG ' HG11 ' A' ' 69' ' ' VAL . 48.1 m -75.21 -18.05 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.6 t -79.43 -32.48 42.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -38.15 -44.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.54 -32.36 42.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -162.22 -102.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -146.74 178.95 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 56' ' ' LEU . 2.1 mm -119.11 93.51 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -58.18 -34.77 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 57' ' ' LEU . 25.3 tptt -165.63 138.95 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.97 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 tp -131.68 124.98 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD21 ' HE3' ' A' ' 55' ' ' LYS . 16.3 mt -126.13 108.36 11.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.12 115.36 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.6 m-85 -83.55 94.25 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -82.67 27.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -113.23 -42.83 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.33 120.49 68.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.9 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -116.48 17.72 15.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.596 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 54.77 99.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG12 ' HD2' ' A' ' 59' ' ' PHE . 77.7 t -133.78 123.36 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.82 158.96 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.565 ' OG ' HG11 ' A' ' 17' ' ' VAL . 2.0 t -124.84 106.18 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.998 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -101.59 103.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 m -77.78 144.47 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 43.1 m-85 -125.15 178.43 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 3.4 tpm_? -116.59 -32.94 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.53 138.72 19.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.64 35.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.32 -56.04 4.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.47 -49.78 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -59.89 -69.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -40.23 -28.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 t80 -89.53 -34.01 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -68.26 -17.58 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -82.57 -28.39 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.37 -23.65 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.5 m -91.27 -25.7 19.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 71.0 mt -94.75 -6.91 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -7.37 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -128.64 11.76 6.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.8 mmp_? -63.54 164.45 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.454 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.2 m95 -127.7 123.96 36.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.4 m-85 -127.84 140.24 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.26 4.62 8.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.33 -15.19 27.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -109.7 167.33 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.5 tt0 -83.7 160.17 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.944 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -137.51 165.81 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 21' ' ' LYS . 9.4 t -117.58 158.72 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.537 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.89 151.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.56 163.38 21.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.77 134.15 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.0 t90 -88.24 170.39 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.24 -64.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.55 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 103' ' ' THR . 2.8 t -132.03 -45.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.909 HG21 ' CD2' ' A' ' 105' ' ' TYR . 4.1 t -55.57 155.8 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -109.89 27.61 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.909 ' CD2' HG21 ' A' ' 103' ' ' THR . 19.6 m-85 -47.32 -61.0 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -18.03 14.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -80.23 158.53 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.05 145.88 14.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -11.21 30.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -105.76 134.65 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 m -45.93 163.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -62.51 153.87 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -106.55 -54.82 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 43.6 6.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.8 110.28 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -79.98 84.5 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.84 -135.16 52.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.7 67.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -22.66 31.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -76.97 120.01 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.5 mtt180 -46.01 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.574 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 ptm -57.09 80.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' ARG . 7.9 mtp85 -86.35 89.6 7.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' MET . 12.4 p-80 -174.86 158.09 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -77.4 131.78 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -133.56 38.99 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.32 149.57 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -129.68 145.58 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 13.4 mm -113.37 144.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.943 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -125.63 149.97 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 4.0 mptt -129.37 166.07 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.953 ' O ' HG22 ' A' ' 94' ' ' ILE . 6.1 t30 43.39 54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 43' ' ' LEU . 8.3 ptm -122.32 -17.56 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.858 ' CE2' HD21 ' A' ' 58' ' ' LEU . 15.3 p90 -167.81 -179.73 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 14.6 t-80 -145.05 137.44 13.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' CD ' ' HA ' ' A' ' 63' ' ' PRO . 53.3 Cg_endo -69.79 8.27 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.3 mmt -107.92 -16.33 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 35' ' ' VAL . 61.7 m-20 -83.84 -35.7 24.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.8 m-85 -65.96 -26.82 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.8 -32.94 74.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -81.0 -34.14 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.47 139.65 4.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.4 7.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.4 mm? -38.19 -46.29 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 62.0 t -46.15 -55.18 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -67.26 -32.07 72.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -62.94 -59.88 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -57.59 -43.59 84.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 24' ' ' PHE . 86.9 mt -62.41 -54.68 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -52.39 -60.2 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.045 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.6 pt-20 -55.23 -36.98 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.5 m-20 -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.8 mt -67.91 -27.65 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.669 ' HB2' HD22 ' A' ' 56' ' ' LEU . 10.1 ttt-85 -82.12 -26.56 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.7 m -91.51 -24.9 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.0 pt-20 -78.17 -45.06 24.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.962 ' SG ' HG11 ' A' ' 69' ' ' VAL . 83.3 m -73.33 -22.52 60.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.785 ' N ' HD11 ' A' ' 53' ' ' ILE . 43.4 t -75.5 -24.74 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -49.17 -44.72 43.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.4 -32.73 58.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.04 -111.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -128.99 177.17 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.785 HD11 ' N ' ' A' ' 48' ' ' SER . 3.5 mm -120.27 93.51 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 10.4 mmm180 -53.66 -37.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.94 ' HE3' HD21 ' A' ' 57' ' ' LEU . 39.7 tttt -169.91 145.61 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 69' ' ' VAL . 3.7 tp -135.49 127.82 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.94 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.6 mt -134.61 121.61 21.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.858 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.5 tt -98.84 120.38 39.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.6 m-30 -85.18 87.4 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 3.6 p30 -81.04 37.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.9 mmt85 -125.13 -23.92 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -84.91 122.03 74.34 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.82 6.01 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.84 16.33 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.602 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 56.52 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -129.72 135.87 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.21 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.9 p -126.7 111.28 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.962 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.2 t -106.46 106.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -80.69 140.62 35.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 34.6 m-85 -120.61 161.39 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 7.5 tpp180 -91.11 -42.65 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.55 137.67 19.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.13 27.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.44 -39.96 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.5 -65.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.44 -59.51 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -46.21 -34.57 4.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.3 t80 -87.99 -24.03 23.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 m -80.59 -18.18 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.2 pp -80.12 -24.14 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -91.06 -25.98 19.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 m -91.81 -24.89 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 87.6 mt -93.26 -6.84 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -9.27 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.62 -3.14 11.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 2.4 mmp_? -49.09 163.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -128.25 122.19 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.1 m-85 -124.87 140.05 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.69 4.32 9.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.63 -13.87 29.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.12 158.44 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 10.1 tt0 -74.05 160.8 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' ASN . 27.6 pt -138.97 158.02 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -111.55 156.51 21.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.554 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.75 152.75 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.559 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -167.04 161.22 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.61 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.2 t90 -92.32 165.66 12.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -124.46 -70.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.19 56.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -134.64 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' NE1' ' A' ' 99' ' ' TRP . 3.0 t -56.87 146.43 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.31 34.06 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 24.2 m-85 -60.28 -60.43 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 -27.95 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 p -47.3 140.23 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.2 179.22 20.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.38 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -146.66 120.6 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 t -97.31 -55.47 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -100.66 91.97 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 32.1 m -77.48 115.12 16.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.86 -112.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -68.36 124.97 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -61.37 176.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.24 58.88 4.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.35 -112.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 84.24 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -58.98 135.29 57.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -86.91 119.34 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CE1' ' A' ' 14' ' ' HIS . 22.0 ptp -81.78 140.03 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -106.57 45.3 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' SD ' ' A' ' 12' ' ' MET . 15.3 p-80 -138.44 167.35 22.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' HB2' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -128.45 -36.61 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 6.3 mmp_? 49.58 41.18 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 15' ' ' GLU . 45.0 t -98.24 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.7 m -112.62 152.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -115.32 146.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.838 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -129.29 147.75 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 5.2 mptt -128.89 161.95 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' ILE . 9.7 t30 47.49 46.97 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.741 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.1 ptm -118.56 -18.33 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.719 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.1 p90 -163.68 169.21 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.9 t-80 -132.99 140.41 37.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.8 Cg_endo -69.81 -39.04 6.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.4 tpp -74.47 -13.93 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -76.71 -29.09 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 12.3 m-85 -77.84 -25.7 48.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -62.94 -13.7 37.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.25 -35.26 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -163.53 138.96 5.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.689 0.756 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.7 -40.13 5.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.4 mm? -36.88 -48.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -44.64 -57.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 14.0 tp -65.45 -33.47 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -62.01 -62.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.07 -42.21 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.718 HD13 ' CB ' ' A' ' 24' ' ' PHE . 87.5 mt -62.21 -56.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.6 -59.46 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.022 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.2 pt-20 -55.08 -37.61 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 4.4 m-20 -57.76 -44.51 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.741 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.9 mt -66.97 -28.23 68.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 56' ' ' LEU . 26.3 ttt180 -81.27 -28.54 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.6 m -90.01 -25.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.699 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.6 pt-20 -78.38 -45.85 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.763 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.7 m -73.48 -14.51 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.607 ' N ' HD11 ' A' ' 53' ' ' ILE . 35.3 t -86.18 -20.59 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -48.12 -42.67 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -83.02 -29.53 28.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.49 -114.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -128.84 -174.87 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.607 HD11 ' N ' ' A' ' 48' ' ' SER . 2.7 mm -125.19 93.67 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -51.05 -39.48 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.787 ' HE2' HD21 ' A' ' 57' ' ' LEU . 26.2 tttt -165.24 145.44 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.856 HD12 HG13 ' A' ' 69' ' ' VAL . 4.4 tp -134.78 124.96 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 55' ' ' LYS . 23.0 mt -136.0 118.45 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.719 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -99.26 115.44 29.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 11.9 m-85 -81.72 87.17 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 10.2 p-10 -78.45 40.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 3.7 mmt85 -125.83 -29.16 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -82.18 124.56 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.1 Cg_endo -69.8 5.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.281 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.96 18.75 14.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.615 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 52.27 88.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HD2' ' A' ' 59' ' ' PHE . 90.4 t -119.12 125.23 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.64 150.75 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.54 ' OG ' ' CZ ' ' A' ' 59' ' ' PHE . 1.2 p -118.16 110.07 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.856 HG13 HD12 ' A' ' 56' ' ' LEU . 2.7 t -108.68 106.91 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 149.27 32.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 58.7 m-85 -131.3 152.22 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.3 tpp85 -85.54 -58.12 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 137.79 27.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.79 23.36 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.35 -47.77 84.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.54 -66.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.1 -65.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -44.44 -26.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -94.76 -25.19 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' SG ' ' CD2' ' A' ' 50' ' ' PHE . 29.8 m -79.31 -25.94 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -72.73 -25.59 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.86 -23.69 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -95.49 -23.23 17.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 95.6 mt -94.59 -8.35 38.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 42.7 p30 -73.64 -2.14 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.39 3.82 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -61.58 166.89 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.5 m95 -127.38 122.32 33.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.24 139.27 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.55 3.0 8.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -12.52 26.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -113.46 163.4 14.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.4 tt0 -79.77 158.48 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 20' ' ' ILE . 38.2 pt -134.37 159.17 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 t -114.47 151.73 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -126.62 153.7 44.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.533 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.89 160.43 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.85 135.7 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.613 ' NE1' HG22 ' A' ' 103' ' ' THR . 23.1 t90 -96.25 160.1 14.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -117.76 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.545 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 158.59 56.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -132.91 -37.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.613 HG22 ' NE1' ' A' ' 99' ' ' TRP . 6.0 t -56.69 150.96 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -110.82 34.92 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 25.9 m-85 -62.44 -58.34 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -103.52 -32.54 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.922 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 3.5 p -43.52 145.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.81 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.78 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' PRO . 25.7 t -37.13 103.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.8 p -84.93 -42.32 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -85.56 48.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -166.7 176.08 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.7 121.47 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -85.87 102.45 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -102.55 83.99 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 96.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.26 145.85 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.517 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.63 13.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.8 p -159.16 160.67 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' SER . 12.3 ptt85 37.48 45.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 3.5 mmt -38.89 -63.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 61.99 38.72 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 4.0 p80 -155.33 159.23 39.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.65 102.02 9.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -86.08 50.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 t -138.09 143.57 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.7 m -119.93 143.76 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 18' ' ' VAL . 6.1 mm -104.88 149.25 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.947 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.69 130.72 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' HG22 ' A' ' 66' ' ' VAL . 14.6 mmtp -112.32 161.23 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 46.11 54.99 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ptm -120.22 -30.16 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CD2' HD21 ' A' ' 58' ' ' LEU . 17.4 p90 -149.71 175.91 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.6 t-80 -145.58 141.21 16.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.76 -46.65 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.0 mmt -59.06 -11.0 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -87.73 -37.85 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 26' ' ' PRO . 6.7 m-85 -66.41 -26.85 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.65 -29.77 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -34.09 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -166.52 139.01 3.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -36.34 11.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.95 -46.75 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 HD12 ' A' ' 39' ' ' ILE . 92.3 t -44.16 -57.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 29' ' ' PHE . 12.3 tp -65.49 -34.03 77.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.61 -62.71 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.94 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 24' ' ' PHE . 70.5 mt -61.12 -55.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -52.38 -60.72 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.046 ' O ' HG13 ' A' ' 45' ' ' VAL . 4.3 pt-20 -54.53 -36.72 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 5.5 m-20 -58.06 -43.58 86.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.608 HD23 ' OE2' ' A' ' 46' ' ' GLU . 8.5 mt -66.83 -28.88 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.666 ' HG3' HG21 ' A' ' 53' ' ' ILE . 8.4 ttt180 -82.29 -26.08 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.046 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -91.7 -24.28 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.608 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.4 pt-20 -79.76 -47.17 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.034 ' SG ' HG11 ' A' ' 69' ' ' VAL . 74.4 m -70.69 -20.89 62.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.581 ' N ' HD11 ' A' ' 53' ' ' ILE . 26.5 t -75.07 -28.3 60.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -45.32 -42.72 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.56 -30.62 52.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.39 -101.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -138.68 -176.06 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.666 HG21 ' HG3' ' A' ' 44' ' ' ARG . 8.6 mm -122.0 93.35 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 2.2 mmp_? -56.36 -36.91 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.856 ' HE2' HD21 ' A' ' 57' ' ' LEU . 10.4 tttt -170.11 142.02 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 69' ' ' VAL . 2.0 tp -136.41 138.01 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.856 HD21 ' HE2' ' A' ' 55' ' ' LYS . 11.2 mt -143.71 119.8 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 24' ' ' PHE . 2.0 tt -97.54 113.29 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' HD2' HG12 ' A' ' 66' ' ' VAL . 9.6 m-85 -82.84 65.23 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -47.33 -24.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -57.78 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' ND1' HG23 ' A' ' 66' ' ' VAL . 8.1 t-80 -53.05 121.4 23.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.69 -18.81 37.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -91.94 25.5 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.95 90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 105' ' ' TYR . 76.4 t -124.67 133.35 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.19 158.98 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 p -124.33 113.19 17.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.034 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -106.69 102.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -77.63 142.36 38.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 59.7 m-85 -125.17 166.65 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.4 tpp180 -98.92 -35.48 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.48 142.62 25.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.42 -59.0 3.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -44.04 -56.15 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -57.76 -58.27 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.27 -25.04 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -87.77 -36.44 17.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.601 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -66.04 -27.58 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -67.67 -30.02 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -91.99 -28.13 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.3 m -87.06 -26.75 23.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 79.5 mt -94.6 -6.64 43.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -9.93 20.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.45 13.51 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.557 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 1.2 mmp_? -64.36 165.51 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.47 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 59.8 m95 -128.83 124.27 34.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 94' ' ' ILE . 7.2 m-85 -127.07 139.35 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.48 7.08 12.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.71 -16.93 30.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -107.0 167.63 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.3 tt0 -84.62 159.47 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.947 HD12 HG21 ' A' ' 20' ' ' ILE . 1.7 pt -136.79 169.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 20' ' ' ILE . 7.6 t -122.59 158.12 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.22 147.99 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.552 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -164.57 163.99 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.68 136.9 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.752 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.6 t90 -77.59 147.6 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -117.01 29.53 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.561 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 41.97 55.5 4.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -132.53 -43.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.752 HG22 ' NE1' ' A' ' 99' ' ' TRP . 2.3 t -55.63 150.7 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.4 p-10 -113.17 46.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.1 m-85 -63.89 -72.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 1.5 pp0? -114.83 -15.28 11.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 108.05 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.38 179.49 17.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.17 67.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.0 m -124.3 166.78 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.4 m -105.75 154.26 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -145.84 156.96 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -106.51 -51.08 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 76.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -47.95 -56.96 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -75.59 -55.18 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.65 103.38 1.11 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.72 82.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -40.66 5.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.22 126.04 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.13 149.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.441 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 11.7 mmt -97.81 120.34 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -100.83 60.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 2.6 p-80 -156.69 -178.01 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -92.63 98.67 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.99 -11.46 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' ARG . 79.3 t -109.3 135.36 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' HD13 ' A' ' 19' ' ' ILE . 1.9 m -119.87 144.82 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.1 mm -108.48 149.82 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -130.86 139.88 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 66' ' ' VAL . 14.5 mmtp -120.52 148.62 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.1 t30 59.79 54.96 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 4.5 ptm -121.13 -18.51 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.841 ' HB3' HD13 ' A' ' 39' ' ' ILE . 22.4 p90 -161.06 179.55 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 t-80 -144.96 141.63 17.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.4 Cg_endo -69.76 -43.12 2.85 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.3 mmt -64.5 -5.82 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -89.42 -41.74 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 9.3 m-85 -65.27 -26.86 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.36 -13.2 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.71 -28.35 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -170.91 138.55 1.22 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.2 mm? -40.5 -48.8 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 28' ' ' ASP . 47.2 t -42.82 -57.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.5 tp -65.5 -35.92 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.05 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.16 -41.37 71.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 24' ' ' PHE . 74.5 mt -61.49 -55.39 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HG2' HD23 ' A' ' 56' ' ' LEU . 7.1 ttt180 -52.54 -58.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.998 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.5 pt-20 -55.14 -36.34 65.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 5.4 m-20 -59.49 -43.37 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.612 HD23 ' OE2' ' A' ' 46' ' ' GLU . 10.1 mt -65.69 -30.85 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 56' ' ' LEU . 14.7 mtp180 -77.35 -35.36 54.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.998 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.4 m -80.23 -24.93 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.612 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.6 pt-20 -79.3 -47.45 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.003 ' SG ' HG11 ' A' ' 69' ' ' VAL . 86.2 m -72.91 -14.26 61.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.757 ' N ' HD11 ' A' ' 53' ' ' ILE . 5.0 t -82.25 -26.13 33.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -46.24 -41.47 12.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.3 m-85 -78.29 -31.51 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.96 -92.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.657 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -147.99 -178.54 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.757 HD11 ' N ' ' A' ' 48' ' ' SER . 3.8 mm -120.56 93.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 mmt180 -52.45 -38.16 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 57' ' ' LEU . 5.4 tmtm? -169.96 147.18 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.917 HD12 HG13 ' A' ' 69' ' ' VAL . 1.6 tp -131.03 142.61 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' HE3' ' A' ' 55' ' ' LYS . 39.4 mt -143.75 108.2 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.709 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.6 tt -93.41 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 10.3 m-85 -87.44 70.99 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 11.8 p-10 -54.94 -13.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -66.34 -52.07 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -59.49 126.37 82.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.82 -27.53 26.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.54 22.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.6 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 50.7 94.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' HE2' ' A' ' 21' ' ' LYS . 83.9 t -123.25 136.32 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.94 158.54 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -127.47 107.58 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.003 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -103.35 107.71 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -79.64 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 51.1 m-85 -129.05 158.69 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -86.43 -56.55 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.65 141.09 23.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.64 23.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.53 -50.85 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -43.38 -63.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.36 -28.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.7 t80 -93.82 -24.83 17.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ALA . 34.6 m -78.4 -21.31 49.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -76.95 -25.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.86 -23.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -95.38 -23.24 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.45 -14.81 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 40.0 p30 -64.05 -7.63 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -120.42 0.74 12.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.538 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.19 164.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -127.98 125.36 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.7 m-85 -126.06 139.81 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.68 6.47 8.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.95 -18.66 26.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -105.04 168.66 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.9 tt0 -86.08 157.24 20.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 20' ' ' ILE . 5.7 pt -134.37 150.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.499 HG23 HE22 ' A' ' 97' ' ' GLN . 10.1 t -105.81 154.11 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.504 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -127.73 151.44 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -163.94 159.71 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.4 127.91 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.595 ' CE2' HG22 ' A' ' 103' ' ' THR . 24.1 t90 -83.27 162.82 21.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 0.3 OUTLIER -118.9 -73.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 162.29 36.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.58 -37.88 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.624 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.4 t -56.7 149.2 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -109.78 18.86 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.1 m-85 -41.96 -65.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.05 -38.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.3 t -44.91 151.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.21 -95.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.0 27.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 t -123.3 -49.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -111.99 132.41 54.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -131.76 144.8 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.37 123.11 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.04 -99.18 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -105.99 -49.7 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -94.07 -48.09 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.87 -139.42 13.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.43 156.24 13.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.5 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 t -123.2 136.53 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -59.92 82.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' SER . 8.3 ptp -47.86 103.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -39.83 -43.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 14' ' ' HIS . 23.7 p80 -70.33 80.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -90.11 148.64 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 78' ' ' ASP . 19.3 mmm180 -100.23 97.34 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -114.99 136.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -111.33 146.44 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 18' ' ' VAL . 10.6 mm -108.74 144.61 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.817 HG21 HD12 ' A' ' 94' ' ' ILE . 2.4 mm -130.55 141.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -124.56 157.76 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 8.5 t30 54.44 54.98 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.755 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.5 ptm -124.83 -24.26 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 39' ' ' ILE . 26.4 p90 -152.59 177.39 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.1 t-80 -148.4 140.61 14.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.4 Cg_endo -69.84 -29.95 22.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -8.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 35' ' ' VAL . 9.0 t0 -91.95 -36.34 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.5 m-85 -67.27 -26.87 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.97 -30.81 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -83.56 -26.75 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -174.28 139.06 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -37.48 9.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -38.3 -47.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 28' ' ' ASP . 61.9 t -43.73 -57.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.9 tp -65.41 -35.63 81.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -60.07 -62.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.41 -42.05 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 24' ' ' PHE . 74.4 mt -60.44 -53.15 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 56' ' ' LEU . 16.9 ttm180 -55.37 -59.82 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.016 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.1 pt-20 -54.54 -34.29 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.5 m-20 -61.59 -45.35 94.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.1 mt -65.67 -27.14 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.707 ' HB2' HD22 ' A' ' 56' ' ' LEU . 11.4 ttt-85 -81.96 -31.07 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -87.06 -23.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.66 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.7 pt-20 -78.64 -47.67 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 69' ' ' VAL . 37.0 m -76.97 -16.55 59.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.568 ' N ' HD11 ' A' ' 53' ' ' ILE . 6.8 t -79.93 -21.55 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -52.97 -45.22 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 1.5 m-85 -77.38 -31.23 54.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -107.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.72 -179.4 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.74 HG21 HD13 ' A' ' 56' ' ' LEU . 1.9 mm -124.56 107.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' CD ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.8 -27.13 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 132.89 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 53' ' ' ILE . 2.7 tp -127.81 111.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -117.44 125.77 51.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 36' ' ' LEU . 1.9 tt -107.28 112.94 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 5.1 m-30 -83.67 62.8 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.5 p-10 -47.29 -27.25 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -56.96 -60.36 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.73 117.41 7.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.78 3.66 2.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.45 23.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 48.19 74.92 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 59' ' ' PHE . 91.3 t -111.17 133.57 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 169.12 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 36.9 t -134.95 102.84 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.5 t -100.1 105.99 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -80.52 142.73 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.583 ' CE1' HG13 ' A' ' 18' ' ' VAL . 46.3 m-85 -125.14 173.48 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -118.46 -35.29 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.3 138.51 19.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.12 15.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -64.97 -42.44 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -63.52 -66.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -48.23 -64.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 3.8 t70 -46.43 -25.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 2.8 t80 -97.48 -21.15 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 75.2 m -81.16 -34.53 32.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.4 pp -69.54 -22.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 6.7 pt20 -91.31 -26.26 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -95.37 -23.53 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 96.1 mt -92.2 -6.67 50.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -70.74 -10.73 60.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -119.42 -1.12 13.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 16.0 mmt-85 -53.99 164.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.5 m95 -127.16 122.05 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' HD13 ' A' ' 94' ' ' ILE . 5.3 m-85 -122.45 138.73 54.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.08 4.4 7.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.52 -16.55 24.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -108.32 163.62 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.7 tt0 -79.73 159.45 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 pt -137.58 155.8 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.0 t -110.5 155.43 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -133.46 151.45 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.543 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.44 166.54 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.16 133.05 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.555 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 21.8 t90 -88.84 161.71 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -117.65 -67.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.555 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 152.4 37.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -111.36 -38.28 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.7 t -59.99 153.33 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -115.14 27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CD2' HG21 ' A' ' 103' ' ' THR . 21.8 m-85 -50.91 -63.49 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -36.28 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -38.85 146.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.42 145.48 18.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.05 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.4 t -93.58 95.75 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -74.49 -62.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -93.82 -46.98 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.84 115.8 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 53.24 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -69.0 110.12 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -73.6 -58.26 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 -177.07 29.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.65 142.48 29.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.7 Cg_endo -69.82 103.76 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.335 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' PRO . 8.6 t -37.97 144.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -68.83 172.84 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 80.9 mmm -94.46 123.24 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -104.25 92.08 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -78.72 47.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -95.03 -52.03 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -56.3 98.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' SER . 93.2 t -142.66 126.52 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.964 HG11 ' SG ' ' A' ' 80' ' ' CYS . 3.5 m -99.47 151.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.07 149.13 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.982 HG21 HD12 ' A' ' 94' ' ' ILE . 2.8 mm -130.98 140.55 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.09 156.55 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 94' ' ' ILE . 10.2 t30 52.15 48.24 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.9 ptm -114.75 -29.29 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CB ' HD13 ' A' ' 39' ' ' ILE . 27.1 p90 -146.9 -176.1 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 t-80 -151.65 141.04 14.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.73 -51.71 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE3' ' N ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -54.7 -17.45 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.85 -38.96 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 7.9 m-85 -66.45 -27.02 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.07 -29.63 70.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.74 -33.74 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.41 139.53 3.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.17 9.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.33 -48.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.42 -57.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 tp -65.3 -36.85 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -59.04 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.68 -41.06 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.856 HD13 ' CB ' ' A' ' 24' ' ' PHE . 70.5 mt -61.07 -56.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -52.39 -58.1 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.932 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.6 pt-20 -55.38 -35.31 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 m-20 -61.27 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD23 ' OE2' ' A' ' 46' ' ' GLU . 11.4 mt -65.39 -30.36 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.959 ' CG ' HD22 ' A' ' 56' ' ' LEU . 26.3 mtm180 -77.54 -35.64 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.2 m -81.66 -23.97 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -81.5 -47.34 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.995 ' SG ' HG11 ' A' ' 69' ' ' VAL . 73.0 m -72.05 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.2 t -76.75 -33.25 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' SER . 40.1 mmtt -37.39 -43.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -79.47 -32.96 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.66 -97.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' C ' HD13 ' A' ' 53' ' ' ILE . 71.9 mt-30 -148.55 -175.2 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 47' ' ' CYS . 4.1 mm -121.09 98.23 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NE ' ' HB2' ' A' ' 72' ' ' ARG . 7.6 mmt180 -63.21 -32.39 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.748 ' HE3' HD21 ' A' ' 57' ' ' LEU . 31.9 tptt -167.81 140.45 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.959 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 tp -135.13 129.65 34.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.748 HD21 ' HE3' ' A' ' 55' ' ' LYS . 12.9 mt -136.06 110.48 8.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.8 tt -92.39 113.29 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HD2' HG12 ' A' ' 66' ' ' VAL . 12.9 m-85 -85.69 67.96 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -47.71 -33.31 6.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.12 -61.86 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -50.52 116.31 6.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.5 Cg_endo -69.81 3.52 2.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.54 25.28 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.25 74.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.492 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG12 ' HD2' ' A' ' 59' ' ' PHE . 93.8 t -110.03 124.54 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.17 153.71 48.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 t -120.55 112.77 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.995 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -110.76 106.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 t -77.5 147.75 35.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 76.2 m-85 -131.07 157.59 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 11.2 tpt180 -96.66 -40.36 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.88 138.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -28.51 25.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.67 -51.0 18.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -58.34 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -53.51 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.75 -28.02 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -89.75 -28.91 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HG11 ' A' ' 18' ' ' VAL . 1.1 p -70.62 -28.42 64.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -68.67 -29.79 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' N ' HG13 ' A' ' 81' ' ' ILE . 6.1 pt20 -91.59 -26.47 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -89.26 -27.31 20.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 86.2 mt -94.79 -14.27 24.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -67.23 -3.35 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.461 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.18 1.38 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -61.14 167.34 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.416 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 57.9 m95 -129.08 121.75 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.17 139.43 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.92 4.77 7.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.25 -17.14 24.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 24' ' ' PHE . 20.2 ptt180 -108.67 164.76 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.461 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 7.5 tt0 -79.87 157.7 26.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.982 HD12 HG21 ' A' ' 20' ' ' ILE . 3.9 pt -133.78 150.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.0 t -106.71 152.92 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.52 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -130.19 149.21 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -162.97 162.82 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.56 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.605 ' NE1' HG22 ' A' ' 103' ' ' THR . 24.2 t90 -84.7 149.59 25.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -104.06 -64.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 147.42 47.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -124.85 -29.34 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.605 HG22 ' NE1' ' A' ' 99' ' ' TRP . 4.0 t -64.54 151.34 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -112.15 36.52 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.539 ' CD2' HG21 ' A' ' 103' ' ' THR . 23.6 m-85 -63.47 -61.79 2.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.65 -33.2 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -40.76 145.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -177.91 71.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.4 Cg_endo -69.78 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' PRO . 64.5 m 35.06 41.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -86.49 80.23 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -102.32 98.65 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -174.47 108.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.42 70.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -119.87 168.82 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -92.38 120.45 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 94.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -109.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 132.41 23.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 m -143.65 136.11 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -112.68 134.71 54.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -47.44 175.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 41.57 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 16' ' ' ARG . 7.3 p80 -159.9 177.58 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.72 126.33 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -119.77 40.39 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.86 145.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 81' ' ' ILE . 2.4 m -126.48 145.67 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mm -111.18 152.82 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.926 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -133.03 140.37 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -123.63 152.53 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.662 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.2 t30 59.95 44.42 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.3 ptm -114.98 -16.89 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 58' ' ' LEU . 16.5 p90 -167.48 177.31 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.6 t-80 -147.33 140.35 14.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' CB ' HG11 ' A' ' 35' ' ' VAL . 16.8 m-20 -72.54 -36.76 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 3.1 m-85 -65.2 -26.77 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.09 -26.95 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.96 -30.6 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -167.59 137.8 2.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 -38.64 7.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.3 mm? -37.04 -49.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG11 ' CB ' ' A' ' 28' ' ' ASP . 39.6 t -43.67 -55.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 11.5 tp -66.42 -33.69 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -62.23 -61.51 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -43.44 80.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 24' ' ' PHE . 66.5 mt -61.99 -54.73 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.22 -60.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.02 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.15 -37.08 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 m-20 -57.8 -44.74 86.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.96 -28.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' HB2' HD22 ' A' ' 56' ' ' LEU . 17.6 ttt180 -80.54 -29.33 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.5 m -89.01 -25.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.675 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.8 pt-20 -76.54 -47.89 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 69' ' ' VAL . 72.9 m -72.59 -17.78 61.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.604 ' N ' HD11 ' A' ' 53' ' ' ILE . 13.2 t -80.35 -29.85 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 19.3 mmtp -46.84 -33.36 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.7 m-85 -88.04 -33.27 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' OE2' ' A' ' 76' ' ' GLU . . . -162.03 -99.2 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 53' ' ' ILE . 73.2 mt-30 -149.69 178.73 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.9 mm -123.69 93.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.23 -37.2 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE3' HD21 ' A' ' 57' ' ' LEU . 24.7 tptt -162.19 135.96 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD22 ' HB2' ' A' ' 44' ' ' ARG . 6.7 tp -127.26 138.28 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD21 ' HE3' ' A' ' 55' ' ' LYS . 40.5 mt -142.15 129.66 21.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.4 tt -114.27 118.27 33.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 3.9 m-30 -83.56 93.42 7.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' ARG . 11.9 p-10 -82.5 30.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 60' ' ' ASP . 4.1 mmt85 -118.92 -42.24 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CD2' HG21 ' A' ' 66' ' ' VAL . 2.1 t-80 -64.6 120.67 67.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.485 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.7 Cg_endo -69.79 3.53 2.73 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -116.71 20.49 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 51.14 98.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.4 t -129.71 125.13 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.37 157.77 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 t -128.3 110.0 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.8 t -105.91 109.61 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -77.61 147.26 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -131.12 164.87 24.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 11.0 tpp180 -107.5 -47.32 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.76 148.01 35.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.252 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.38 -40.02 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 51' ' ' GLY . 7.4 tp10 -57.07 -50.06 73.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.793 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -67.96 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -41.49 -30.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -89.26 -33.71 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 17.5 m -71.96 -12.48 61.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -90.89 -25.01 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.93 -23.44 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -94.65 -24.24 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 80' ' ' CYS . 76.3 mt -94.46 -12.82 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -64.49 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -125.36 3.7 8.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.41 164.71 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -127.05 121.63 32.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.1 m-85 -124.05 139.7 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.18 4.79 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.31 -15.21 27.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -110.22 165.63 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' ' 86' ' ' GLY . 8.0 tt0 -81.94 157.82 24.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.926 HD12 HG21 ' A' ' 20' ' ' ILE . 29.1 pt -134.4 152.64 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 t -108.09 152.43 24.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.539 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -125.84 151.64 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.574 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.53 156.88 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.99 136.03 37.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.628 ' NE1' HG22 ' A' ' 103' ' ' THR . 16.3 t90 -82.66 147.26 28.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.0 m-20 -117.91 35.27 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 36.38 56.44 1.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 t -130.88 -44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.837 HG21 ' CD2' ' A' ' 105' ' ' TYR . 1.3 t -56.53 151.84 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.38 49.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.837 ' CD2' HG21 ' A' ' 103' ' ' THR . 26.2 m-85 -68.75 -74.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 1.8 pp0? -105.27 -19.0 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.439 ' HA ' ' NE2' ' A' ' 106' ' ' GLN . 47.7 t -62.27 142.53 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.87 128.39 4.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 124.89 11.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -73.58 -49.82 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m -56.35 -53.46 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -159.73 144.1 14.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 p -49.37 119.96 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -39.13 2.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -62.28 134.72 56.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -81.52 115.94 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 110.89 3.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -68.64 1.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 144.7 55.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -115.89 111.42 20.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.42 134.62 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.5 mtp -73.38 84.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -101.31 86.51 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -169.26 153.92 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.64 128.25 35.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 16.28 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.9 t -120.41 145.96 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.4 m -126.16 149.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.478 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 16.8 mm -115.22 146.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 94' ' ' ILE . 3.1 mm -126.5 147.18 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -127.29 161.88 27.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.838 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.4 t30 45.67 53.56 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.7 ptm -121.52 -18.32 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 58' ' ' LEU . 13.3 p90 -163.14 173.44 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 27' ' ' MET . 16.9 t-80 -147.45 140.23 14.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.5 Cg_endo -69.79 7.94 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -99.45 -20.8 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.763 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.6 m-20 -83.03 -37.3 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 1.9 m-85 -65.83 -26.7 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.18 -30.14 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.02 -29.54 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -169.03 139.29 1.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.5 mm? -39.88 -46.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 28' ' ' ASP . 72.1 t -44.82 -57.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.7 tp -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -61.48 -62.04 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.38 -43.81 75.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' CE ' ' A' ' 23' ' ' MET . 73.1 mt -61.54 -51.88 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -54.53 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' HG13 ' A' ' 45' ' ' VAL . 5.5 pt-20 -54.29 -36.47 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 m-20 -58.93 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 23' ' ' MET . 11.2 mt -66.92 -28.26 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -80.45 -29.72 37.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.9 m -88.7 -22.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.639 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.3 pt-20 -79.79 -46.11 17.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.02 ' SG ' HG11 ' A' ' 69' ' ' VAL . 77.3 m -74.79 -15.38 60.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.663 ' N ' HD11 ' A' ' 53' ' ' ILE . 30.1 t -82.39 -28.84 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.45 -45.06 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' CG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -80.61 -26.14 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.7 -100.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' C ' HD13 ' A' ' 53' ' ' ILE . 40.4 mt-30 -153.19 -179.53 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 47' ' ' CYS . 1.8 mm -122.32 93.46 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.32 -35.51 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.884 ' HE3' HD21 ' A' ' 57' ' ' LEU . 14.5 tptt -162.21 136.66 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -129.21 138.79 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.884 HD21 ' HE3' ' A' ' 55' ' ' LYS . 14.4 mt -143.88 116.03 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.7 tt -96.11 112.84 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 14.5 m-30 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 10.5 p-10 -48.97 -22.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -60.02 -59.03 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -51.54 120.79 16.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 54.3 Cg_endo -69.71 -3.93 12.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.41 28.34 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 42.69 88.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.96 132.21 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -132.33 154.08 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.6 t -123.01 103.11 8.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.02 HG11 ' SG ' ' A' ' 47' ' ' CYS . 3.3 t -100.69 106.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -79.25 146.1 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 47.1 m-85 -125.57 174.66 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 13.7 tpt85 -107.39 -42.04 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -111.86 141.93 25.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -22.66 31.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.44 -61.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE1' ' CA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -48.93 -68.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -44.07 -61.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.21 -31.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 4.5 t80 -96.04 -21.63 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.519 ' SG ' ' CG ' ' A' ' 50' ' ' PHE . 60.0 m -80.08 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.1 pp -74.09 -24.83 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.89 -23.38 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -96.03 -22.06 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 97.4 mt -94.38 -7.02 42.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' HA ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -71.63 -6.45 41.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.88 0.61 9.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 13.4 mmt180 -56.81 161.64 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 53.7 m95 -123.92 124.16 42.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.51 138.8 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.68 5.02 7.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.33 -17.26 24.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -107.44 165.62 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 6.8 tt0 -82.31 160.12 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.838 HG22 ' O ' ' A' ' 22' ' ' ASN . 37.3 pt -137.22 162.24 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.8 t -115.65 154.23 29.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.4 152.46 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.55 ' NE2' ' C ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -167.24 160.98 14.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.2 136.32 33.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.568 ' NE1' HG22 ' A' ' 103' ' ' THR . 18.5 t90 -89.45 152.97 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -110.73 -63.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.39 54.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.4 t -130.28 -40.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.712 HG21 ' CD2' ' A' ' 105' ' ' TYR . 3.8 t -55.79 150.9 12.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -110.11 27.98 9.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.712 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.6 m-85 -51.63 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.88 -34.83 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -57.75 133.8 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.53 152.26 9.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.34 32.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 t -63.25 149.6 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 t -133.98 96.63 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -152.14 136.14 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.809 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.04 164.77 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 155.43 26.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -127.29 -51.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -89.98 43.01 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 79.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.69 162.3 48.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p -132.86 152.27 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 167.47 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -97.81 125.39 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -41.99 -37.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 26.3 p80 -78.76 140.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.93 90.47 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 14' ' ' HIS . 7.4 mpt_? -103.67 86.52 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t -142.38 144.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG22 ' HB ' ' A' ' 69' ' ' VAL . 1.9 m -119.09 144.13 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 mm -109.71 146.03 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.9 HG21 HD12 ' A' ' 94' ' ' ILE . 2.9 mm -129.24 138.07 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.35 157.24 28.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.7 t30 50.55 55.03 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.742 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.2 ptm -121.28 -18.24 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.76 ' CB ' HD13 ' A' ' 39' ' ' ILE . 22.0 p90 -157.49 -175.61 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.0 t-80 -150.41 141.39 14.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.54 0.686 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 -44.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 14.2 tpp -64.19 -13.18 46.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.68 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -83.05 -29.41 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 6.0 m-85 -78.46 -26.91 46.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.92 -27.96 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.39 -33.58 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -165.63 138.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.71 -38.61 7.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -37.1 -49.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 28' ' ' ASP . 44.1 t -43.31 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 15.7 tp -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -60.32 -62.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.76 -42.71 72.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.76 HD13 ' CB ' ' A' ' 24' ' ' PHE . 79.8 mt -60.3 -54.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -53.47 -60.32 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.044 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.9 pt-20 -54.21 -34.52 60.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.7 m-20 -61.48 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.3 mt -66.65 -27.63 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.723 ' HB2' HD22 ' A' ' 56' ' ' LEU . 25.1 ttt180 -81.16 -33.44 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.044 HG13 ' O ' ' A' ' 41' ' ' GLU . 1.9 m -83.71 -26.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' OE2' HD23 ' A' ' 43' ' ' LEU . 8.2 pt-20 -76.12 -46.34 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.955 ' SG ' HG11 ' A' ' 69' ' ' VAL . 90.8 m -72.13 -17.73 61.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.632 ' N ' HD11 ' A' ' 53' ' ' ILE . 38.5 t -79.77 -31.8 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -41.18 -40.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CD1' ' SG ' ' A' ' 80' ' ' CYS . 3.0 m-85 -81.71 -32.78 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.26 -100.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.8 178.98 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 47' ' ' CYS . 2.6 mm -120.8 101.69 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -59.57 -34.49 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 141.57 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD12 HG13 ' A' ' 69' ' ' VAL . 2.7 tp -132.82 131.36 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.79 120.61 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 24' ' ' PHE . 1.9 tt -99.66 121.87 41.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 7.4 m-30 -92.18 65.31 4.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 4.6 p-10 -50.96 -17.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -63.58 -56.81 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.99 119.47 34.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.91 3.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.03 24.7 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 47.28 74.26 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG12 ' HD2' ' A' ' 59' ' ' PHE . 98.0 t -109.77 130.65 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.8 163.29 29.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -129.82 108.51 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.955 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.3 t -111.18 102.47 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -77.84 152.18 33.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CG ' ' HB2' ' A' ' 77' ' ' ALA . 78.2 m-85 -130.31 160.85 32.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.4 tpt85 -91.01 -45.89 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -108.26 141.91 24.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.54 31.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.82 -44.24 73.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.21 -60.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -52.9 -57.07 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.21 -21.92 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 79' ' ' TYR . 3.0 t80 -100.08 -21.33 15.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 76.3 m -82.05 -31.86 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 77' ' ' ALA . 1.4 pp -69.62 -22.63 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.29 -24.14 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -98.82 -20.91 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.0 mt -94.37 -8.78 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -7.22 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -122.43 9.34 9.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.23 163.91 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 58.7 m95 -126.9 125.7 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.49 139.53 53.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.67 6.92 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.02 -21.71 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.61 169.55 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.6 tt0 -86.85 160.09 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 20' ' ' ILE . 2.3 pt -138.13 151.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -107.24 154.82 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -129.62 152.43 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -164.52 161.76 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.35 126.62 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.537 ' CE2' HG22 ' A' ' 103' ' ' THR . 22.4 t90 -81.48 148.6 29.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.88 -66.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 151.06 57.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -133.89 -35.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.5 t -58.41 153.75 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -114.89 24.3 11.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 103' ' ' THR . 25.1 m-85 -50.51 -67.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -36.16 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.0 t -47.35 148.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.04 179.6 39.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.4 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 85.8 p -111.56 146.21 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -124.19 128.39 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -160.89 123.62 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.46 159.59 31.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 136.64 7.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -46.54 118.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -150.02 142.08 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 101.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.01 -157.87 29.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 114.44 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.667 2.244 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 m -138.46 123.3 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -47.39 95.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.543 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 44.8 mtm -54.43 101.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -99.07 97.84 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 12' ' ' MET . 5.4 m170 -135.76 -177.71 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.19 58.67 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.42 50.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 18' ' ' VAL . 48.0 t -134.7 152.66 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.012 HG11 ' SG ' ' A' ' 80' ' ' CYS . 2.3 m -129.76 139.06 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 18' ' ' VAL . 7.2 mm -104.64 151.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.763 HG21 HD12 ' A' ' 94' ' ' ILE . 2.5 mm -133.9 144.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -126.83 163.19 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.877 ' O ' HG22 ' A' ' 94' ' ' ILE . 5.9 t30 48.51 54.97 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.784 ' SD ' HD11 ' A' ' 43' ' ' LEU . 4.8 ptm -125.27 -20.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 58' ' ' LEU . 14.9 p90 -160.16 175.03 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 8.3 t-80 -150.19 140.51 14.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 53.9 Cg_endo -69.73 1.39 4.46 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -94.73 -19.62 20.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -84.33 -36.35 22.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.7 m-85 -65.61 -26.65 67.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.86 -21.75 64.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.51 -27.87 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.09 140.7 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.18 9.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.232 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.3 mm? -38.46 -48.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' ' 28' ' ' ASP . 66.9 t -43.19 -57.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 13.2 tp -64.98 -35.94 82.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -60.06 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -55.24 -40.91 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.496 HD12 HG12 ' A' ' 35' ' ' VAL . 57.1 mt -61.65 -55.02 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -53.74 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.005 ' O ' HG13 ' A' ' 45' ' ' VAL . 3.0 pt-20 -55.18 -35.44 64.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.08 -44.19 97.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.784 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.2 mt -67.81 -25.16 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HB2' HD22 ' A' ' 56' ' ' LEU . 15.9 ttt180 -84.35 -29.3 26.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.4 m -88.45 -25.68 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.694 ' OE2' HD23 ' A' ' 43' ' ' LEU . 7.2 pt-20 -76.72 -45.05 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 69' ' ' VAL . 71.8 m -72.65 -16.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' HD11 ' A' ' 53' ' ' ILE . 39.0 t -79.1 -31.3 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -39.45 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -33.39 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -165.85 -98.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' C ' HD13 ' A' ' 53' ' ' ILE . 62.1 mt-30 -146.2 -179.01 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 47' ' ' CYS . 3.3 mm -120.1 100.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 13.0 mmm180 -58.79 -34.56 71.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.8 135.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 69' ' ' VAL . 3.2 tp -126.88 131.42 51.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -139.54 119.76 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 24' ' ' PHE . 2.0 tt -98.49 117.02 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 105' ' ' TYR . 9.6 m-85 -86.19 64.24 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 7.5 p-10 -47.82 -25.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -57.7 -59.41 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -51.07 117.27 8.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.2 Cg_endo -69.8 4.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.319 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.08 21.48 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 49.92 77.14 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 59' ' ' PHE . 88.4 t -114.31 130.58 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . . . -130.62 165.17 23.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -131.91 111.31 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 47' ' ' CYS . 2.4 t -112.44 98.86 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.5 t -79.21 139.86 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 16.4 m-85 -113.89 172.09 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.1 tpt180 -98.22 -38.99 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.55 135.32 21.08 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.46 32.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.52 -49.48 18.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.42 -56.37 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 81' ' ' ILE . . . -40.73 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -39.36 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -89.71 -45.54 9.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.012 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -57.22 -25.36 58.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.2 pp -75.31 -30.83 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.9 pt20 -92.03 -23.39 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -90.7 -26.33 19.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 47.0 mt -94.86 -6.5 42.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -67.12 -6.0 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -123.01 -2.69 9.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -55.55 164.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 54.6 m95 -127.86 125.95 40.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.2 m-85 -125.21 140.56 52.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.94 5.67 7.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.3 -19.44 22.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' C ' ' CE3' ' A' ' 88' ' ' TRP . 26.6 mtt85 -105.79 168.07 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 7.9 tt0 -81.94 160.55 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG22 ' O ' ' A' ' 22' ' ' ASN . 30.0 pt -137.74 156.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.0 t -112.99 153.05 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -131.35 149.18 52.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -161.74 161.29 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.2 140.05 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.653 ' NE1' HG22 ' A' ' 103' ' ' THR . 15.2 t90 -85.27 146.43 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' GLY . 48.6 m-20 -120.9 38.99 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 34.63 60.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.2 t -133.05 -38.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.833 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.8 t -57.88 154.29 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -109.17 23.71 14.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.3 m-85 -49.25 -67.66 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -30.24 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -47.1 137.04 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 160.91 27.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.87 38.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.2 t -79.65 94.85 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m 62.13 40.71 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.539 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.8 114.89 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -109.04 -61.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -102.82 -86.32 1.93 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.3 m 35.05 46.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -137.01 156.68 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 160.33 9.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.79 79.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 145.96 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -148.69 163.23 37.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -41.64 122.68 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.9 mtp -48.06 117.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.35 77.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -174.56 152.81 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.85 104.45 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG23 ' HE ' ' A' ' 16' ' ' ARG . 18.1 t -126.33 139.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 69' ' ' VAL . 2.5 m -118.15 142.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mm -105.91 144.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.849 HG21 HD12 ' A' ' 94' ' ' ILE . 2.2 mm -129.51 143.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -128.8 159.1 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 94' ' ' ILE . 14.0 t30 56.36 49.05 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 43' ' ' LEU . 5.4 ptm -121.1 -32.89 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.714 ' CD2' HD21 ' A' ' 58' ' ' LEU . 30.4 p90 -146.86 170.15 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 9.2 t-80 -146.45 140.87 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 25' ' ' HIS . 54.2 Cg_endo -69.78 3.29 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.17 -12.13 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.756 ' HB3' HG11 ' A' ' 35' ' ' VAL . 7.0 m-20 -92.29 -37.38 12.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 2.4 m-85 -65.38 -26.66 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.12 -23.53 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -93.6 -32.71 14.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.69 140.71 2.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -37.66 8.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.6 mm? -39.11 -47.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 28' ' ' ASP . 84.3 t -44.19 -57.5 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 12.6 tp -65.22 -34.05 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -61.57 -62.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.84 -42.63 72.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 24' ' ' PHE . 67.8 mt -59.82 -55.82 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 56' ' ' LEU . 6.8 ttm180 -53.27 -60.82 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.927 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.3 pt-20 -53.77 -34.98 60.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 45' ' ' VAL . 8.0 m-20 -61.07 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD23 ' OE2' ' A' ' 46' ' ' GLU . 9.9 mt -65.11 -31.33 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 1.03 ' HG3' HD22 ' A' ' 56' ' ' LEU . 33.2 mtm180 -76.87 -34.42 57.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 41' ' ' GLU . 2.5 m -82.62 -22.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.757 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.3 pt-20 -81.61 -47.77 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HG11 ' A' ' 69' ' ' VAL . 78.5 m -72.87 -17.46 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.633 ' N ' HD11 ' A' ' 53' ' ' ILE . 11.2 t -79.33 -32.57 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -39.91 -38.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 1.4 m-85 -82.95 -31.72 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -163.22 -97.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' O ' HD13 ' A' ' 53' ' ' ILE . 95.3 mt-30 -149.91 -178.59 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.633 HD11 ' N ' ' A' ' 48' ' ' SER . 4.5 mm -123.51 97.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mmm180 -59.51 -34.77 73.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -169.65 148.19 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.03 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 tp -135.95 135.6 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 55' ' ' LYS . 73.9 mt -135.61 108.34 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 24' ' ' PHE . 1.5 tt -93.39 110.6 22.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 105' ' ' TYR . 11.1 m-85 -79.73 74.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.12 -14.8 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.823 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -70.02 -59.12 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' HG21 ' A' ' 66' ' ' VAL . 1.8 t-80 -50.09 116.83 6.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 26' ' ' PRO . 53.8 Cg_endo -69.74 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.03 24.35 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.594 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 46.89 79.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.545 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 62' ' ' HIS . 90.8 t -115.64 128.9 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.44 145.26 50.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.3 t -112.32 111.69 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.78 HG11 ' SG ' ' A' ' 47' ' ' CYS . 14.4 t -101.7 110.74 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -85.36 132.87 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 47' ' ' CYS . 44.8 m-85 -115.28 174.57 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 17.4 tpt180 -103.81 -41.97 5.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.81 135.73 19.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.32 37.13 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -77.69 -40.09 42.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -66.96 -53.23 33.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' CYS . . . -49.38 -63.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -42.04 -26.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -95.19 -27.31 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.687 ' SG ' HD11 ' A' ' 84' ' ' LEU . 1.1 t -74.29 -14.01 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' HD12 ' A' ' 81' ' ' ILE . 1.6 pp -90.55 -24.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.6 -23.0 20.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -93.64 -25.63 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 80' ' ' CYS . 90.1 mt -94.65 -6.82 42.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -64.96 -7.8 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.446 ' HA2' ' NE2' ' A' ' 93' ' ' GLN . . . -126.37 4.87 7.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 84' ' ' LEU . 1.5 mmp_? -56.07 162.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.496 ' CE2' ' HG3' ' A' ' 93' ' ' GLN . 61.6 m95 -129.43 118.02 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 94' ' ' ILE . 4.3 m-85 -118.59 135.3 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.54 4.02 11.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 112.55 -13.43 25.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' HE ' ' ND2' ' A' ' 22' ' ' ASN . 6.7 ptm180 -109.81 155.53 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 88' ' ' TRP . 8.7 tt0 -74.52 160.65 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.849 HD12 HG21 ' A' ' 20' ' ' ILE . 29.5 pt -138.66 151.57 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 t -104.77 154.06 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.557 ' C ' ' NE2' ' A' ' 97' ' ' GLN . . . -134.13 151.2 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.572 HE21 ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -165.23 161.7 19.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.95 132.4 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.521 ' CZ2' ' HA2' ' A' ' 101' ' ' GLY . 22.6 t90 -88.32 156.18 19.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -112.06 -63.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.521 ' HA2' ' CZ2' ' A' ' 99' ' ' TRP . . . 146.84 43.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 t -118.11 -37.39 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.827 HG21 ' CD2' ' A' ' 105' ' ' TYR . 2.4 t -55.98 155.06 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.23 35.05 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.827 ' CD2' HG21 ' A' ' 103' ' ' THR . 22.1 m-85 -55.18 -64.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -28.08 12.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -51.28 115.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' HA2' ' HD2' ' A' ' 109' ' ' PRO . . . -92.62 108.4 3.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD2' ' HA2' ' A' ' 108' ' ' GLY . 54.0 Cg_endo -69.76 165.98 29.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t -113.15 -48.66 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -73.56 -43.43 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.976 . . . . . . . . 0 0 . 1 stop_ save_